SCHEMBL4809641

SCHEMBL4809641

CS(=O)(=O)Nc1cccc(CCOc2ccc(C[C@H](NC(=O)c3sccc3Cl)C(=O)O)nc2)n1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.68
ITGA5 P08648 20/20 0.68
ITGB3 P05106 13/20 0.68
ITGAV P06756 13/20 0.68

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
SCHEMBL4199496 0.91 ITGB1 (0.82) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4207626 0.81 ITGB1 (1.00) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4069515 0.78 ITGB1 (1.00) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4196184 0.78 ITGAV (0.65) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4929776 0.77 ITGB1 (0.84) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4069250 0.76 ITGB1 (0.77) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4069363 0.75 ITGB1 (0.89) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4250019 0.74 ITGB1 (0.83) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4197881 0.72 ITGB1 (0.83) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4066343 0.70 ITGB1 (0.72) ITGB1ITGA5ITGB3ITGAV

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-2008093065-A1 L-ALANINE DERIVATIVES AS α5βL ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 WO disclosed