SCHEMBL7397708

SCHEMBL7397708

CC(C)(C)OC(=O)Nc1ccc2c(c1)CNC(=O)[C@H](CC(=O)O)N2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.45
ITGAV P06756 4/20 0.45
RORC P51449 7/20 0.40
BRD4 O60885 2/20 0.39
CREBBP Q92793 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
MMP8 P22894 2/20 0.37
MMP3 P08254 1/20 0.37
NR1I3 Q14994 1/20 0.37
SLC10A2 Q12908 1/20 0.37
CYP17A1 P05093 1/20 0.36

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
SCHEMBL7397715 1.00 ITGB3 (0.45) ITGB3ITGAVRORCBRD4CREBBP
SCHEMBL7394572 0.77 ITGB3 (0.58) ITGB3ITGAV
SCHEMBL7438965 0.75 NPC1 (0.47) ITGB3
SCHEMBL7438972 0.75 NPC1 (0.47) ITGB3
SCHEMBL7075297 0.74 ITGB3 (0.57) ITGB3ITGAV
SCHEMBL7917703 0.74 ITGB3 (0.50) ITGB3ITGAV
SCHEMBL7398006 0.74 ITGB3 (0.50) ITGB3ITGAV
SCHEMBL7917671 0.74 ITGB3 (0.50) ITGB3ITGAV
SCHEMBL7397999 0.74 ITGB3 (0.50) ITGB3ITGAV
SCHEMBL7917665 0.74 ITGB3 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed