SCHEMBL6672774

SCHEMBL6672774

O=C(O)CC1Cc2cc(NC(=O)OCc3ccccc3)ccc2CN(CCc2ccccc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.55
ITGA2B P08514 10/20 0.55
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
ITGAV P06756 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP8 P22894 2/20 0.42

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
SCHEMBL6672778 1.00 ITGB3 (0.55) ITGB3ITGA2BPSEN1PSEN2APH1B
SCHEMBL6674375 0.88 ITGB3 (0.53) ITGB3ITGA2BCTSLCTSBITGAV
SCHEMBL6654075 0.85 ITGB3 (0.62) ITGB3ITGA2BITGAV
SCHEMBL7541901 0.84 ITGB3 (0.51) ITGB3ITGA2BPSEN1PSEN2APH1B
SCHEMBL7335728 0.81 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL6676552 0.81 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL6675207 0.80 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL6674870 0.80 ITGB3 (0.62) ITGB3ITGA2BITGAV
SCHEMBL6675212 0.80 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL6675230 0.79 ITGB3 (0.54) ITGB3ITGA2BCTSLCTSBITGAV

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