SCHEMBL8468435

SCHEMBL8468435

CC(C)(C)OC(=O)c1ccc2c(c1)CN(CCCCO)C(=O)[C@H](CC(=O)O)N2

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.49
ITGA2B P08514 10/20 0.49
ITGAV P06756 13/20 0.48

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
SCHEMBL8468446 1.00 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL5972558 0.88 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL8469807 0.88 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL8469803 0.88 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL5973364 0.88 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL8466232 0.86 ITGB3 (0.63) ITGB3ITGA2BITGAV
SCHEMBL8171296 0.86 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL8171302 0.86 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL6676151 0.86 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL6676144 0.86 ITGB3 (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed