SCHEMBL9033463

SCHEMBL9033463

CCC(C)n1ccc2cc(CC(C)=CC(=O)O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
OXER1 Q8TDS5 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL9032615 0.91 BRD4 (0.38) ITGB3ITGAVOXER1
SCHEMBL9465390 0.89 OXER1 (0.38) ITGB3ITGAVOXER1
SCHEMBL9465516 0.87 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL9032728 0.86 GRIN2D (0.36) ITGB3ITGAVMAPT
SCHEMBL9034483 0.85 ITGB3 (0.37) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL9033646 0.85 ITGB3 (0.43) ITGB3ITGAVOXER1
SCHEMBL9034512 0.85 ITGB3 (0.41) ITGB3ITGAV
SCHEMBL9034650 0.85 GCGR (0.35) ITGB3ITGAV
SCHEMBL9033860 0.85 ITGB3 (0.44) ITGB3ITGAVOXER1
SCHEMBL9031376 0.84 ITGB3 (0.40) ITGB3ITGAV

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511477-B1 Indole derivatives KYOWA HAKKO KOGYO KK (JP) 1996-07-10 EP disclosed
US-5239083-A Anticarcinogenic agents, prostate cancer treatment KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-08-24 US disclosed
EP-0511477-A1 Indole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-11-04 EP disclosed