SCHEMBL7669121

SCHEMBL7669121

CC(C)(C)OC(=O)NN=Cc1ccc(NC(=O)c2ccc3c(c2)NC(CC(=O)O)CN(CCc2ccccc2)C3)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.65
ITGA2B P08514 11/20 0.65
ITGAV P06756 2/20 0.43
DRD2 P14416 1/20 0.42
MAPT P10636 2/20 0.41
ABCB1 P08183 3/20 0.38
ABCG2 Q9UNQ0 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ASF1A Q9Y294 1/20 0.38
NAMPT P43490 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL7669093 0.86 ITGB3 (0.73) ITGB3ITGA2BITGAVDRD2ABCB1
SCHEMBL7669111 0.86 ITGB3 (0.73) ITGB3ITGA2BITGAVDRD2ABCB1
SCHEMBL7437422 0.85 ITGB3 (0.77) ITGB3ITGA2BITGAVABCB1ABCG2
SCHEMBL7669103 0.84 ITGB3 (0.72) ITGB3ITGA2BITGAVDRD2ABCB1
SCHEMBL7440009 0.80 ITGB3 (0.61) ITGB3ITGA2BDRD2
SCHEMBL7440013 0.80 ITGB3 (0.61) ITGB3ITGA2BDRD2
SCHEMBL7437406 0.79 ITGB3 (1.00) ITGB3ITGA2BITGAVABCB1ABCG2
SCHEMBL7437403 0.79 ITGB3 (1.00) ITGB3ITGA2BITGAVABCB1ABCG2
SCHEMBL7396918 0.76 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7450753 0.74 ITGB3 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed