SCHEMBL7807935

SCHEMBL7807935

CCOC(=O)CC(Cc1ccc(OCCc2cccc(NC)n2)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.66
ITGAV P06756 20/20 0.66
ITGB1 P05556 17/20 0.53
ITGA5 P08648 17/20 0.53
ITGB6 P18564 2/20 0.43
ITGB5 P18084 2/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL1830769 0.90 ITGB3 (0.81) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL7512617 0.90 ITGB3 (0.81) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL7797654 0.84 ITGB3 (0.67) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL7797657 0.84 ITGB3 (0.67) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6176301 0.80 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6177136 0.80 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6178494 0.79 ITGB3 (0.87) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6175429 0.78 ITGB3 (0.86) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL7797631 0.76 THRB (0.50)
SCHEMBL9857070 0.75 SLC6A9 (0.52)

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