SCHEMBL8921005

SCHEMBL8921005

COC(=O)c1ccc2c(c1)Cc1ccc(C(=O)O)cc1C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
KDM6B O15054 1/20 0.53
KDM5C P41229 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
KDM2A Q9Y2K7 1/20 0.53
KDM3A Q9Y4C1 1/20 0.53
SRD5A2 P31213 1/20 0.51
TRPA1 O75762 3/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
ALDH1A1 P00352 4/20 0.49
CA12 O43570 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
XDH P47989 1/20 0.49
TSHR P16473 1/20 0.46
MAPT P10636 4/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6907035 0.93 CA1 (0.55) KDM4ETRPA1CA1CA2ALDH1A1
SCHEMBL8920996 0.93 CA1 (0.55) KDM4ETRPA1CA1CA2ALDH1A1
SCHEMBL6901141 0.85 SRD5A2 (0.66) KDM4ESRD5A2CA1CA2ALDH1A1
Hydrochloric Acid SCHEMBL8922281 0.83 SRD5A2 (0.63) KDM4ESRD5A2CA1CA2ALDH1A1
SCHEMBL17978157 0.80 HSD17B1 (0.51) KDM4ETRPA1CA1CA2ALDH1A1
SCHEMBL6907637 0.80 SRD5A2 (0.76) KDM4ESRD5A2ALDH1A1TSHRMAPT
SCHEMBL13550865 0.79 PTPRC (0.54) KDM4ETRPA1CA1CA2ALDH1A1
SCHEMBL2000825 0.78 KDM4E (0.67) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29809867 0.78 KDM4E (0.67) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9644030 0.78 CA1 (0.55) KDM4ESRD5A2TRPA1CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670493-A ANGIOGENESIS INHIBITORS ADIR ET COMPAGNIE (FR) 1997-09-23 US disclosed