SCHEMBL6504253

SCHEMBL6504253

CNc1cccc(CCOc2ccc(CC(CC(=O)OC)c3ncc(C)s3)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.61
ITGAV P06756 20/20 0.61
ITGB1 P05556 18/20 0.53
ITGA5 P08648 18/20 0.53
ITGB5 P18084 1/20 0.46
ITGB6 P18564 1/20 0.45

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
SCHEMBL6490652 0.92 ITGB3 (0.73) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6180607 0.79 ITGB3 (0.74) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7512617 0.78 ITGB3 (0.81) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL27510388 0.78 MAOB (0.53)
SCHEMBL6178889 0.77 ITGB3 (0.74) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6175847 0.77 ITGB3 (0.74) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6175851 0.77 ITGB3 (0.74) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6176294 0.77 ITGB3 (0.73) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7797654 0.76 ITGB3 (0.67) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7797657 0.76 ITGB3 (0.67) ITGB3ITGAVITGB1ITGA5ITGB5

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-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed