SCHEMBL8309983

SCHEMBL8309983

COc1cc(OC)cc(C(CC(=O)O)c2csc(CCCc3ccc4c(n3)NCCC4)n2)c1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.78
ITGAV P06756 20/20 0.78
ITGB6 P18564 16/20 0.78
ITGA2B P08514 11/20 0.78
ITGB8 P26012 4/20 0.57
ITGB5 P18084 3/20 0.57
ITGB1 P05556 1/20 0.49
ITGA5 P08648 1/20 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
SCHEMBL5849800 0.87 ITGB3 (1.00) ITGB3ITGAVITGB6ITGA2BITGB8
SCHEMBL20140511 0.87 ITGB3 (0.79) ITGB3ITGAVITGB6ITGA2BITGB8
SCHEMBL20140982 0.87 ITGB3 (0.79) ITGB3ITGAVITGB6ITGA2BITGB8
SCHEMBL20139504 0.87 ITGB3 (0.79) ITGB3ITGAVITGB6ITGA2BITGB8
Hydrochloric Acid SCHEMBL5847779 0.87 ITGB3 (0.98) ITGB3ITGAVITGB6ITGA2BITGB8
Hydrochloric Acid SCHEMBL5847692 0.80 ITGB3 (0.83) ITGB3ITGAVITGB6ITGA2BITGB8
SCHEMBL20140268 0.80 ITGB3 (0.73) ITGB3ITGAVITGB6ITGA2BITGB8
SCHEMBL29797431 0.80 ITGB3 (0.73) ITGB3ITGAVITGB6ITGA2BITGB8
SCHEMBL8335760 0.77 ITGB3 (0.73) ITGB3ITGAVITGB6ITGA2BITGB8
SCHEMBL23802056 0.77 ITGB3 (0.81) ITGB3ITGAVITGB6ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004058760-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed