SCHEMBL1830769

SCHEMBL1830769

CNc1cccc(CCOc2ccc(CC(CC(=O)O)c3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.81
ITGAV P06756 20/20 0.81
ITGB1 P05556 15/20 0.58
ITGA5 P08648 15/20 0.58
ITGB6 P18564 3/20 0.51
ITGB5 P18084 2/20 0.51
ITGA2B P08514 1/20 0.51

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
SCHEMBL6177136 0.90 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6176301 0.90 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL7807935 0.90 ITGB3 (0.66) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6178494 0.89 ITGB3 (0.87) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6175429 0.88 ITGB3 (0.86) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL1822558 0.84 ITGB3 (0.69) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL1821210 0.83 ITGB3 (0.83) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL1820551 0.83 ITGB3 (0.83) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6177505 0.82 ITGB3 (0.75) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6191198 0.82 ITGB3 (0.83) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4685307-B2 2011-05-18 JP claimed
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US claimed
EP-1218005-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP claimed
JP-2003508516-A 2003-03-04 JP claimed
EP-1218005-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-09 EP claimed
EP-1218005-A2 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-07-03 EP claimed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 WO 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
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 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