SCHEMBL7595536

SCHEMBL7595536

CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccc3c(c2)NC(CC(=O)O)CN(CCc2ccccc2)C3=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.70
ITGA2B P08514 10/20 0.70
ITGAV P06756 2/20 0.44
HDAC1 Q13547 1/20 0.44
NAMPT P43490 3/20 0.43
ALDH1A1 P00352 1/20 0.39
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PPARA Q07869 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL7595534 1.00 ITGB3 (0.70) ITGB3ITGA2BITGAVHDAC1NAMPT
SCHEMBL7600102 0.94 ITGB3 (0.65) ITGB3ITGA2BITGAVHDAC1NAMPT
SCHEMBL7600109 0.94 ITGB3 (0.65) ITGB3ITGA2BITGAVHDAC1NAMPT
SCHEMBL7600644 0.85 ITGB3 (0.83) ITGB3ITGA2BITGAVALDH1A1MAPT
SCHEMBL7393761 0.85 ITGB3 (0.83) ITGB3ITGA2BITGAVALDH1A1MAPT
SCHEMBL7593946 0.83 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7595440 0.82 ITGB3 (0.70) ITGB3ITGA2BITGAVNAMPT
SCHEMBL7595444 0.82 ITGB3 (0.70) ITGB3ITGA2BITGAVNAMPT
SCHEMBL7593955 0.81 ITGB3 (0.79) ITGB3ITGA2BITGAVMAPTKDM4E
SCHEMBL7399925 0.80 ITGB3 (0.77) ITGB3ITGA2BITGAVALDH1A1

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 1 patent. 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