SCHEMBL8287673

SCHEMBL8287673

N#Cc1ccc(CN2C(=O)COc3cc(NC(=O)C(Cc4ccccc4)C(=O)O)ccc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.71
ITGA2B P08514 13/20 0.71
RORC P51449 1/20 0.47
F2 P00734 2/20 0.43
F10 P00742 1/20 0.43
BRD4 O60885 1/20 0.41

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
SCHEMBL6473921 0.93 ITGB3 (0.76) ITGB3ITGA2BRORCF2F10
SCHEMBL6474923 0.93 ITGB3 (0.76) ITGB3ITGA2BRORCF2F10
SCHEMBL6471424 0.90 ITGB3 (0.79) ITGB3ITGA2BRORCF2F10
SCHEMBL8286641 0.84 ITGB3 (0.80) ITGB3ITGA2BRORCF2F10
SCHEMBL6472917 0.82 ITGB3 (0.49) ITGB3ITGA2BBRD4
SCHEMBL6473800 0.79 ITGB3 (0.83) ITGB3ITGA2BF2F10
SCHEMBL6471417 0.79 ITGB3 (0.83) ITGB3ITGA2BF2F10
SCHEMBL29226928 0.79 BRD4 (0.54) ITGB3ITGA2BBRD4
SCHEMBL22729291 0.79 ITGB3 (1.00) ITGB3ITGA2BF2F10
SCHEMBL6471695 0.77 ITGB3 (0.86) ITGB3ITGA2BF2F10

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
WO-2005051934-A1 ANTITHROMBOTIC COMPOUNDS WITH DUAL FUNCTION UNIVERSITY OF LJUBLJANA (SI) 2005-06-09 WO disclosed