SCHEMBL6950146

SCHEMBL6950146

N=C(NC(=O)OCc1ccccc1)c1ccc(CNC(=O)c2ccc3c(c2)CC(CC(=O)O)C(=O)N(CCc2ccccc2)C3)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.54
ITGA2B P08514 13/20 0.54
ITGAV P06756 5/20 0.44
RORC P51449 1/20 0.40
MASP2 O00187 2/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL6675230 1.00 ITGB3 (0.54) ITGB3ITGA2BITGAVRORCMASP2
SCHEMBL6949743 0.86 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL6949753 0.86 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL7602811 0.86 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL6677677 0.86 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL6677664 0.86 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL6675234 0.86 ITGB3 (0.48) ITGB3ITGA2BITGAVRORC
SCHEMBL6953362 0.85 ITGB3 (0.43) ITGB3ITGA2BITGAVRORCMASP2
SCHEMBL7435601 0.84 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL7435590 0.84 ITGB3 (0.59) ITGB3ITGA2BITGAV

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
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed