SCHEMBL6177744

SCHEMBL6177744

CC(C)(C)OC(=O)N(CCCOc1ccc(C[C@@H](CC(=O)O)c2ccccc2)cc1)C1=NC=CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.46
ITGAV P06756 9/20 0.46
ITGB6 P18564 4/20 0.46
ITGB5 P18084 3/20 0.46
ITGB1 P05556 3/20 0.46
ITGA2B P08514 2/20 0.41
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
LTA4H P09960 2/20 0.34
SUCNR1 Q9BXA5 3/20 0.34

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
SCHEMBL6174342 0.78 ITGB3 (0.45) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6179695 0.77 ITGB3 (0.64) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6178117 0.77 ITGB3 (0.64) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6178761 0.77 ITGB3 (0.64) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL7519784 0.72 ITGB3 (0.61) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6178108 0.72 ITGB3 (0.61) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL7516361 0.69 ITGB3 (0.64) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6178644 0.69 ITGB3 (0.64) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6175350 0.66 ITGB3 (0.59) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6179307 0.65 ITGB3 (0.56) ITGB3ITGAVITGB6ITGB5ITGB1

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-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO disclosed