TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 310.344 | Formula: C19H18O4
H donors: 0 H acceptors: 1 LogP: 4.27 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(OC)cc2c1C(=O)/C(=C/c1ccc(cc1C)C)/O2
InChi: 1S/C19H18O4/c1-11-5-6-13(12(2)7-11)8-17-19(20)18-15(22-4)9-14(21-3)10-16(18)23-17/h5-10H,1-4H3/b17-8-
InChiKey: JRSKFXYVQFENFL-IUXPMGMMSA-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
Brugia malayi	hypothetical protein	0.0036	0.0104	0.0198
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0074	0.0592	1
Onchocerca volvulus		0.0074	0.0592	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0592	0.113
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0231	0.0441
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.1302	0.2485
Echinococcus granulosus	mitogen activated protein kinase 3	0.0051	0.0294	0.0561
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0294	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0104	0.0198
Echinococcus granulosus	para nitrobenzyl esterase	0.0074	0.0592	0.113
Onchocerca volvulus		0.0074	0.0592	1
Echinococcus multilocularis	tumor protein p63	0.0335	0.3937	0.3937
Echinococcus multilocularis	acetylcholinesterase	0.0437	0.5241	0.5241
Echinococcus multilocularis	mitogen activated protein kinase	0.0051	0.0294	0.0294
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0231	0.0441
Schistosoma mansoni	acetylcholinesterase	0.0074	0.0592	0.113
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0051	0.0294	0.0561
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0102	0.0196
Loa Loa (eye worm)	carboxylesterase	0.0437	0.5241	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0051	0.0294	0.5
Loa Loa (eye worm)	carboxylesterase	0.0074	0.0592	0.113
Echinococcus granulosus	mitogen activated protein kinase	0.0051	0.0294	0.0561
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0051	0.0294	0.5
Brugia malayi	Carboxylesterase family protein	0.0437	0.5241	1
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0104	0.0198
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0437	0.5241	1
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.1302	0.2485
Echinococcus multilocularis	tar DNA binding protein	0.0129	0.1302	0.1302
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0231	0.0231
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0074	0.0592	0.113
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0051	0.0294	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0231	0.0441
Loa Loa (eye worm)	acetylcholinesterase 1	0.0437	0.5241	1
Echinococcus granulosus	neuroligin	0.0074	0.0592	0.113
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0104	0.0104
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0074	0.0592	0.113
Brugia malayi	RNA recognition motif domain containing protein	0.0129	0.1302	0.2485
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0051	0.0294	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0231	0.0441
Brugia malayi	amidase	0.0101	0.0941	0.1796
Trypanosoma brucei	protein kinase, putative	0.0051	0.0294	0.5
Mycobacterium ulcerans	carboxylesterase, LipT	0.0074	0.0592	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.1302	0.2485
Giardia lamblia	Kinase, CMGC MAPK	0.0051	0.0294	0.5
Onchocerca volvulus		0.0074	0.0592	1
Echinococcus granulosus	acetylcholinesterase	0.0437	0.5241	1
Echinococcus granulosus	BC026374 protein S09 family	0.0074	0.0592	0.113
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0231	0.0441
Echinococcus granulosus	acetylcholinesterase	0.0437	0.5241	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0101	0.0941	0.0941
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0101	0.0941	0.1796
Brugia malayi	TAR-binding protein	0.0129	0.1302	0.2485
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.1302	0.2485
Schistosoma mansoni	hypothetical protein	0.0036	0.0104	0.0198
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0231	0.0231
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0129	0.1302	0.2485
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0592	0.113
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0074	0.0592	0.0592
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0313	0.0598
Brugia malayi	MAP kinase sur-1	0.0051	0.0294	0.0561
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0592	0.113
Loa Loa (eye worm)	hypothetical protein	0.0437	0.5241	1
Onchocerca volvulus		0.0074	0.0592	1
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.1302	0.2485
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0074	0.0592	0.5
Brugia malayi	Carboxylesterase family protein	0.0074	0.0592	0.113
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0051	0.0294	0.5
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0941	0.1796
Entamoeba histolytica	hypothetical protein	0.0036	0.0104	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0074	0.0592	0.113
Echinococcus granulosus	carboxylesterase 5A	0.0437	0.5241	1
Schistosoma mansoni	amidase	0.0101	0.0941	0.1796
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0275	0.0525
Schistosoma mansoni	BC026374 protein (S09 family)	0.0074	0.0592	0.113
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0592	0.113
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0074	0.0592	0.113
Trichomonas vaginalis	spcc417.12 protein, putative	0.0074	0.0592	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0231	0.0441
Brugia malayi	Carboxylesterase family protein	0.0074	0.0592	0.113
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0313	0.0598
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0074	0.0592	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0313	0.0598
Loa Loa (eye worm)	TAR-binding protein	0.0129	0.1302	0.2485
Schistosoma mansoni	hypothetical protein	0.0036	0.0102	0.0196
Brugia malayi	Carboxylesterase family protein	0.0074	0.0592	0.113
Schistosoma mansoni	fatty-acid amide hydrolase	0.0101	0.0941	0.1796
Brugia malayi	Carboxylesterase family protein	0.0074	0.0592	0.113
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0074	0.0592	0.113
Echinococcus multilocularis	neuroligin	0.0074	0.0592	0.0592
Brugia malayi	hypothetical protein	0.0074	0.0592	0.113
Loa Loa (eye worm)	RNA binding protein	0.0129	0.1302	0.2485
Loa Loa (eye worm)	hypothetical protein	0.0437	0.5241	1
Echinococcus multilocularis	carboxylesterase 5A	0.0437	0.5241	0.5241
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0294	0.5
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0101	0.0941	0.0941
Echinococcus granulosus	tumor protein p63	0.0335	0.3937	0.7512
Entamoeba histolytica	hypothetical protein	0.0036	0.0104	0.5
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0592	0.113
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0313	0.0598
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0101	0.0941	0.1796
Onchocerca volvulus		0.0074	0.0592	1
Brugia malayi	Carboxylesterase family protein	0.0437	0.5241	1
Echinococcus granulosus	tar DNA binding protein	0.0129	0.1302	0.2485
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0051	0.0294	0.0294
Echinococcus multilocularis	para nitrobenzyl esterase	0.0074	0.0592	0.0592
Onchocerca volvulus		0.0049	0.0275	0.4643
Schistosoma mansoni	gliotactin	0.0074	0.0592	0.113
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0592	0.113
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0074	0.0592	0.0592
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0102	0.0196
Entamoeba histolytica	hypothetical protein	0.0036	0.0104	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0275	0.0525
Echinococcus multilocularis	acetylcholinesterase	0.0437	0.5241	0.5241
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0592	0.113
Loa Loa (eye worm)	carboxylesterase	0.0074	0.0592	0.113
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.0294	0.0561
Brugia malayi	RNA binding protein	0.0129	0.1302	0.2485
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0231	0.0441
Schistosoma mansoni	hypothetical protein	0.0051	0.0304	0.058
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0074	0.0592	0.5
Entamoeba histolytica	hypothetical protein	0.0036	0.0104	0.5
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0051	0.0294	0.5

Activities

No activities found for this compound.

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

ChEMBL: CHEMBL1814452

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1079254