SCHEMBL6490652

SCHEMBL6490652

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

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.73
ITGAV P06756 20/20 0.73
ITGB1 P05556 17/20 0.56
ITGA5 P08648 17/20 0.56
ITGB6 P18564 1/20 0.49
ITGB5 P18084 2/20 0.49

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
SCHEMBL6504253 0.92 ITGB3 (0.61) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6180607 0.87 ITGB3 (0.74) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6175851 0.85 ITGB3 (0.74) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6178889 0.85 ITGB3 (0.74) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6175847 0.85 ITGB3 (0.74) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6176294 0.84 ITGB3 (0.73) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6176301 0.84 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6177136 0.84 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6177505 0.82 ITGB3 (0.75) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL1822558 0.82 ITGB3 (0.69) ITGB3ITGAVITGB1ITGA5ITGB6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897231-B2 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. (US) 2005-05-24 US claimed
EP-1218005-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP claimed
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
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
EP-1218005-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
EP-1218005-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-09 EP disclosed
EP-1218005-A2 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-07-03 EP disclosed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 WO disclosed