SCHEMBL6678596

SCHEMBL6678596

CC(C)(C)OC(=O)c1ccc2c(c1)C[C@@H](CC(=O)O)C(=O)N(CCc1ccccc1)C2

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.63
ITGA2B P08514 20/20 0.63

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
SCHEMBL6678603 1.00 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL6675212 0.87 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL6675207 0.87 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL8466232 0.83 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL6674870 0.81 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL6654075 0.81 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL6673332 0.80 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL6679291 0.80 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL6419435 0.79 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL6419432 0.79 ITGB3 (0.55) ITGB3ITGA2B

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