TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 260.328 | Formula: C16H20O3
H donors: 0 H acceptors: 1 LogP: 2.85 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)OC12CCCC(C1)CC(=O)C2
InChi: 1S/C16H20O3/c1-18-14-5-2-6-15(9-14)19-16-7-3-4-12(10-16)8-13(17)11-16/h2,5-6,9,12H,3-4,7-8,10-11H2,1H3
InChiKey: YJZRMMRODGCMHT-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0215	0.0275
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0215	0.3545
Loa Loa (eye worm)	hypothetical protein	0.0608	0.4913	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0023	0.0106	0.0216
Brugia malayi	Importin beta-1 subunit	0.0032	0.0175	0.0355
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0089	0.1468
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0036	0.0215	0.3545
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0084	0.0606	0.0562
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0084	0.0606	0.0562
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0084	0.0606	0.2263
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0035	0.0581
Plasmodium falciparum	protoporphyrinogen oxidase	0.0086	0.0626	1
Trypanosoma brucei	hypothetical protein, conserved	0.0084	0.0606	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0606	0.1234
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0086	0.0626	1
Toxoplasma gondii	histone lysine-specific demethylase	0.0086	0.0626	1
Echinococcus multilocularis	dna polymerase eta	0.0021	0.0089	0.0114
Leishmania major	UDP-galactopyranose mutase	0.0086	0.0626	1
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0023	0.0106	0.1698
Loa Loa (eye worm)	MH2 domain-containing protein	0.0142	0.108	0.2198
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0086	0.0626	1
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0023	0.0106	0.4944
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1227	1	1
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0626	0.1274
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0084	0.0606	0.2263
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0175	0.279
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0626	0.1274
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0086	0.0626	1
Brugia malayi	RNA, U transporter 1	0.009	0.0652	0.1327
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0036	0.0215	0.0802
Brugia malayi	SWIRM domain containing protein	0.0086	0.0626	0.1274
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0362	0.135
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0089	0.1468
Onchocerca volvulus		0.0084	0.0606	0.1775
Schistosoma mansoni	amine oxidase	0.0086	0.0626	0.2336
Mycobacterium tuberculosis	Probable esterase LipL	0.0084	0.0606	0.0562
Trichomonas vaginalis	penicillin-binding protein, putative	0.0084	0.0606	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0089	0.1468
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0089	0.0181
Trichomonas vaginalis	esterase, putative	0.0084	0.0606	1
Mycobacterium tuberculosis	Conserved protein	0.0084	0.0606	0.0562
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0036	0.0215	0.0802
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0106	0.0216
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0089	0.1422
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0036	0.0215	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0606	0.1234
Echinococcus granulosus	ubiquitin specific protease 41	0.0036	0.0215	0.0614
Brugia malayi	hypothetical protein	0.0086	0.0626	0.1274
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0537	0.4328	0.4607
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.1141	0.929	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0606	0.1234
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0035	0.0581
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0089	0.1468
Loa Loa (eye worm)	NNMT/PNMT/TEMT family protein	0.0608	0.4913	1
Trypanosoma brucei	unspecified product	0.0015	0.0035	0.0581
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0215	0.3434
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0023	0.0106	0.1698
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0036	0.0215	0.3545
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0036	0.0215	0.0438
Echinococcus granulosus	nischarin	0.0436	0.35	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0084	0.0606	0.0775
Echinococcus multilocularis	snurportin 1	0.0336	0.2679	0.3425
Schistosoma mansoni	ran	0.0023	0.0106	0.0397
Mycobacterium ulcerans	oxidoreductase	0.0086	0.0626	0.0542
Brugia malayi	NNMT/PNMT/TEMT family protein	0.0608	0.4913	1
Schistosoma mansoni	amine oxidase	0.0086	0.0626	0.2336
Mycobacterium ulcerans	hypothetical protein	0.0084	0.0606	0.0522
Trichomonas vaginalis	DNA polymerase eta, putative	0.0021	0.0089	0.1468
Mycobacterium tuberculosis	Probable lipase LipD	0.0084	0.0606	0.0562
Mycobacterium tuberculosis	Conserved protein	0.0084	0.0606	0.0562
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0023	0.0106	0.0304
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0086	0.0626	1
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0626	0.1274
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.0089	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0606	0.1234
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0962	0.7823	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0086	0.0626	0.1788
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0086	0.0626	1
Brugia malayi	beta-lactamase family protein	0.0084	0.0606	0.1234
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0086	0.0626	1
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0023	0.0106	0.1753
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0084	0.0606	0.0522
Loa Loa (eye worm)	transcription factor SMAD2	0.0142	0.108	0.2198
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0086	0.0626	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0084	0.0606	0.0562
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0036	0.0215	1
Plasmodium falciparum	importin beta, putative	0.0032	0.0175	0.279
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0089	0.1468
Echinococcus multilocularis	nischarin	0.0436	0.35	0.4473
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0626	0.1274
Brugia malayi	MH2 domain containing protein	0.0142	0.108	0.2198
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0106	0.1698
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0086	0.0626	0.08
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0023	0.0106	0.0136
Entamoeba histolytica	Ran family GTPase	0.0023	0.0106	0.4944
Plasmodium vivax	hypothetical protein, conserved	0.0086	0.0626	1
Schistosoma mansoni	DNA polymerase eta	0.0021	0.0089	0.0332
Trypanosoma cruzi	hypothetical protein, conserved	0.0084	0.0606	0.9688
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0089	0.1422
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0021	0.0089	0.0332
Trypanosoma cruzi	DNA polymerase eta, putative	0.0021	0.0089	0.1422
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0021	0.0089	0.4141
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0215	0.0614
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0215	0.3434
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0089	0.1468
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.0362	0.0736
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0084	0.0606	0.1234
Echinococcus granulosus	dna polymerase kappa	0.0021	0.0089	0.0254
Brugia malayi	hypothetical protein	0.0426	0.3416	0.6952
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0215	0.0275
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0089	0.1468
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.0089	0.0114
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0086	0.0626	0.2336
Brugia malayi	beta-lactamase family protein	0.0084	0.0606	0.1234
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0362	0.135
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.0089	0.0114
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0021	0.0089	0.1468
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0215	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0426	0.3416	0.6952
Leishmania major	hypothetical protein, conserved	0.0084	0.0606	0.9688
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0215	0.0438
Leishmania major	GTP-binding protein, putative	0.0023	0.0106	0.1698
Trichomonas vaginalis	ran, putative	0.0023	0.0106	0.1753
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0215	0.3545
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0626	0.1274
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0175	0.0499
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0362	0.0462
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0086	0.0626	0.0584
Mycobacterium ulcerans	lipase LipD	0.0084	0.0606	0.0522
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0126	0.2008
Schistosoma mansoni	ran	0.0023	0.0106	0.0397
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0086	0.0626	0.5
Onchocerca volvulus		0.0084	0.0606	0.1775
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0362	0.135
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0175	0.288
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0089	0.1468
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0021	0.0089	0.0332
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0089	0.1468
Trichomonas vaginalis	D-aminoacylase, putative	0.0084	0.0606	1
Giardia lamblia	DINP protein human, muc B family	0.0021	0.0089	0.4141
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0089	0.1422
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0089	0.1468
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0126	0.2072
Onchocerca volvulus		0.0086	0.0626	0.1832
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0362	0.1034
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0086	0.0626	0.2336
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0035	0.0581
Schistosoma mansoni	hypothetical protein	0.0336	0.2679	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0084	0.0606	0.0522
Plasmodium vivax	hypothetical protein, conserved	0.0086	0.0626	1
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0036	0.0215	0.3434
Mycobacterium tuberculosis	Conserved protein	0.0084	0.0606	0.0562
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0089	0.1468
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0089	0.0181
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0084	0.0606	0.0562
Mycobacterium ulcerans	beta-lactamase	0.0084	0.0606	0.0522
Onchocerca volvulus	Nischarin homolog	0.0426	0.3416	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0084	0.0606	0.1234
Mycobacterium ulcerans	monoamine oxidase	0.0086	0.0626	0.0542
Mycobacterium ulcerans	dehydrogenase	0.0086	0.0626	0.0542
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0126	0.2072
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0021	0.0089	0.1422
Trichomonas vaginalis	penicillin-binding protein, putative	0.0084	0.0606	1
Echinococcus multilocularis		0.0086	0.0626	0.08
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0362	0.1034
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0336	0.2679	0.5454
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0.0175	0.279
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0021	0.0089	0.0181
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.0362	0.0736
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0089	0.1422
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0086	0.0626	0.1788
Leishmania major	DNA polymerase eta, putative	0.0021	0.0089	0.1422
Brugia malayi	beta-lactamase	0.0084	0.0606	0.1234
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0106	0.1698
Trypanosoma brucei	DNA polymerase eta, putative	0.0021	0.0089	0.1468
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0626	0.1274
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0606	0.1234
Schistosoma mansoni	importin beta-1	0.0032	0.0175	0.0652
Echinococcus multilocularis	ubiquitin specific protease 41	0.0036	0.0215	0.0275
Echinococcus granulosus	beta LACTamase domain containing family member	0.0084	0.0606	0.1733
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0175	0.0223
Echinococcus granulosus	dna polymerase eta	0.0021	0.0089	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0606	0.1234
Trichomonas vaginalis	D-aminoacylase, putative	0.0084	0.0606	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0089	0.1468
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0086	0.0626	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0175	0.0355
Onchocerca volvulus		0.0084	0.0606	0.1775
Toxoplasma gondii	ABC1 family protein	0.0084	0.0606	0.9688
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0023	0.0106	0.1698
Trypanosoma cruzi	hypothetical protein, conserved	0.0084	0.0606	0.9688
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0126	0.2008
Echinococcus granulosus	snurportin 1	0.0336	0.2679	0.7656
Trypanosoma brucei	unspecified product	0.0021	0.0089	0.1468
Mycobacterium tuberculosis	Probable hydrolase	0.0084	0.0606	0.0562
Trypanosoma brucei	unspecified product	0.0015	0.0035	0.0581
Plasmodium vivax	hypothetical protein, conserved	0.0084	0.0606	0.9688
Loa Loa (eye worm)	hypothetical protein	0.0608	0.4913	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0089	0.1468
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0086	0.0626	0.08
Entamoeba histolytica	hypothetical protein	0.0026	0.0126	0.5846
Brugia malayi	amine oxidase, flavin-containing family protein	0.0086	0.0626	0.1274
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0126	0.2072
Trichomonas vaginalis	D-aminoacylase, putative	0.0084	0.0606	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0175	0.288
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0362	0.0462
Mycobacterium tuberculosis	Possible oxidoreductase	0.0086	0.0626	0.0584
Loa Loa (eye worm)	beta-lactamase	0.0084	0.0606	0.1234
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0086	0.0626	0.0542
Leishmania major	DNA polymerase kappa, putative	0.0021	0.0089	0.1422
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0089	0.0181

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki app (binding)	= 92.1 uM	Compound was evaluated for its ability to inhibit the rotamase activity of FKBP-12	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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Detailed information for compound 69814