SCHEMBL6679291

SCHEMBL6679291

CCCCN1Cc2ccc(C(=O)OCc3ccccc3)cc2C[C@H](CC(=O)O)C1=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.56
ITGA2B P08514 15/20 0.56
GPBAR1 Q8TDU6 1/20 0.41
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGAV P06756 1/20 0.38

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
SCHEMBL6673332 1.00 ITGB3 (0.56) ITGB3ITGA2BGPBAR1SRD5A1SRD5A2
SCHEMBL6953271 0.87 ITGB3 (0.52) ITGB3ITGA2BGPBAR1SRD5A1SRD5A2
SCHEMBL6953267 0.87 ITGB3 (0.52) ITGB3ITGA2BGPBAR1SRD5A1SRD5A2
SCHEMBL8034509 0.84 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL8034514 0.84 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL6678603 0.80 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL6678596 0.80 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL6675207 0.78 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL6675212 0.78 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL6679726 0.75 ITGB3 (0.51) ITGB3ITGA2BSRD5A1SRD5A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
EP-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 WO disclosed