TDR Targets

Basic information

Technical information

TDR Targets ID: 1099009
Name: 7,9-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chr omen-4-one
MW: 218.205 | Formula: C12H10O4
H donors: 2 H acceptors: 3 LogP: 1.6 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Oc1cc(O)c2c(c1)oc(=O)c1c2CCC1
InChi: 1S/C12H10O4/c13-6-4-9(14)11-7-2-1-3-8(7)12(15)16-10(11)5-6/h4-5,13-14H,1-3H2
InChiKey: JZDAPLLTAVOOGR-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

UNM000000581501
BB_SC-4368
ZINC01776366
Oprea1_835127

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
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0888	0.693
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0888	0.0719
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.0968	0.08
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0968	0.7651
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0026	0.1225	0.3764
Loa Loa (eye worm)	hypothetical protein	0.0014	0.054	0.0847
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0288	0.0108
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.0571	0.0396
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0968	0.1725
Echinococcus multilocularis	cpg binding protein	0.0032	0.1587	0.1431
Trypanosoma cruzi	DNA polymerase eta, putative	0.0021	0.0968	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0968	0.7651
Echinococcus multilocularis	musashi	0.003	0.1451	0.1292
Schistosoma mansoni	ap endonuclease	0.002	0.0888	0.0888
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0182	0.0182
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0888	0.693
Schistosoma mansoni	ap endonuclease	0.002	0.0888	0.0888
Entamoeba histolytica	hypothetical protein	0.0026	0.1225	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0571	0.0911
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0888	0.693
Brugia malayi	RNA binding protein	0.0062	0.331	0.6541
Echinococcus multilocularis	lamin dm0	0.003	0.1451	0.1292
Echinococcus multilocularis	geminin	0.0178	1	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0888	0.693
Brugia malayi	cytoplasmic intermediate filament protein	0.0016	0.0662	0.1096
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.331	0.331
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0888	0.9038
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0888	0.1562
Echinococcus granulosus	intermediate filament protein	0.003	0.1451	0.1292
Loa Loa (eye worm)	hypothetical protein	0.0014	0.054	0.0847
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.1451	0.2719
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0888	0.9057
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0968	0.7651
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0968	0.7651
Brugia malayi	intermediate filament protein	0.003	0.1451	0.2719
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0021	0.0968	0.1725
Echinococcus granulosus	dna polymerase kappa	0.0021	0.0968	0.08
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.331	0.3186
Schistosoma mansoni	cpg binding protein	0.0032	0.1587	0.1587
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.331	0.6541
Echinococcus granulosus	cpg binding protein	0.0032	0.1587	0.1431
Schistosoma mansoni	DNA polymerase IV / kappa	0.0007	0.0128	0.0128
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0091	0.4992	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0021	0.0968	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0968	1
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0026	0.1225	1
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0026	0.1225	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.331	0.331
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.331	0.6541
Echinococcus granulosus	lamin	0.003	0.1451	0.1292
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0968	0.7651
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.0571	0.0396
Schistosoma mansoni	hypothetical protein	0.0178	1	1
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0968	0.7651
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0026	0.1225	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0968	0.7651
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0021	0.0968	0.0968
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0968	0.7651
Trypanosoma brucei	unspecified product	0.0015	0.059	0.4208
Schistosoma mansoni	lamin	0.003	0.1451	0.1451
Brugia malayi	TAR-binding protein	0.0062	0.331	0.6541
Loa Loa (eye worm)	hypothetical protein	0.003	0.1451	0.2719
Echinococcus multilocularis	lamin	0.003	0.1451	0.1292
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.331	0.6541
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0091	0.4992	0.4992
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0888	0.9038
Schistosoma mansoni	lamin	0.003	0.1451	0.1451
Trypanosoma brucei	unspecified product	0.0015	0.059	0.4208
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0888	0.9057
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.059	0.4208
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0026	0.1225	0.3764
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.059	0.4208
Leishmania major	DNA polymerase eta, putative	0.0021	0.0968	0.7651
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0021	0.0968	0.7651
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.0968	0.08
Leishmania major	phosphopantetheinyl transferase-like protein	0.0026	0.1225	1
Echinococcus granulosus	L aminoadipate semialdehyde	0.0091	0.4992	0.4899
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0968	0.7651
Schistosoma mansoni	intermediate filament proteins	0.003	0.1451	0.1451
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0662	0.1096
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0968	0.7651
Echinococcus multilocularis	dna polymerase eta	0.0021	0.0968	0.08
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.1488	0.2795
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0968	1
Giardia lamblia	DINP protein human, muc B family	0.0021	0.0968	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0968	0.7651
Loa Loa (eye worm)	intermediate filament protein	0.003	0.1451	0.2719
Trichomonas vaginalis	DNA polymerase eta, putative	0.0021	0.0968	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.4992	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.1451	0.2719
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0064	0.3435	0.3435
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0968	0.7651
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0968	0.7651
Brugia malayi	CXXC zinc finger family protein	0.003	0.1488	0.2795
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.059	0.4208
Onchocerca volvulus		0.003	0.1488	0.0104
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0968	0.7651
Trypanosoma brucei	hypothetical protein, conserved	0.0026	0.1225	1
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0026	0.1225	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0968	1
Schistosoma mansoni	DNA polymerase eta	0.0021	0.0968	0.0968
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0288	0.0329
Echinococcus granulosus	dna polymerase eta	0.0021	0.0968	0.08
Trypanosoma brucei	unspecified product	0.0021	0.0968	0.7651
Toxoplasma gondii	exonuclease III APE	0.002	0.0888	0.2608
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0021	0.0968	0.0968
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.0968	0.08
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0968	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0888	0.0719
Trypanosoma brucei	DNA polymerase eta, putative	0.0021	0.0968	0.7651
Echinococcus granulosus	tar DNA binding protein	0.0062	0.331	0.3186
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0281	0.0314
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0021	0.0968	0.2351
Loa Loa (eye worm)	hypothetical protein	0.0029	0.142	0.2655
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0021	0.0968	0.2351
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0968	0.1725
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.331	0.331
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0091	0.4992	0.4899
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.331	0.331
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0026	0.1225	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0968	0.7651
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0026	0.1225	1
Schistosoma mansoni	hypothetical protein	0.0178	1	1
Mycobacterium leprae	conserved hypothetical protein	0.0026	0.1225	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0288	0.0108
Loa Loa (eye worm)	RNA binding protein	0.0062	0.331	0.6541
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0888	0.9057
Leishmania major	DNA polymerase kappa, putative	0.0021	0.0968	0.7651
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.331	0.331
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0888	0.693
Onchocerca volvulus		0.0091	0.4992	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0968	0.1725
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0026	0.1225	1
Echinococcus granulosus	lamin dm0	0.003	0.1451	0.1292
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0021	0.0968	0.2351
Schistosoma mansoni	cpg binding protein	0.0032	0.1587	0.1587
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.3042	1
Schistosoma mansoni	cpg binding protein	0.003	0.1488	0.1488
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0888	0.1562
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0026	0.1225	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 35.19 %	Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells at 10 uM	ChEMBL.	20099827

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: CHEMBL601667

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 1099009