SCHEMBL5256382

SCHEMBL5256382

COC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NS(=O)(=O)N(CCC(C)C)Cc1cccs1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.45
ITGA4 P13612 20/20 0.45

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
SCHEMBL5253434 0.94 ITGB1 (0.48) ITGB1ITGA4
SCHEMBL5230340 0.93 ITGB1 (0.51) ITGB1ITGA4
SCHEMBL5254117 0.89 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL5225515 0.85 ITGB1 (0.58) ITGB1ITGA4
SCHEMBL5253904 0.85 ITGB1 (0.54) ITGB1ITGA4
SCHEMBL5258891 0.81 ITGB1 (0.54) ITGB1ITGA4
SCHEMBL5228966 0.81 ITGB1 (0.55) ITGB1ITGA4
SCHEMBL5255670 0.80 ITGB1 (0.52) ITGB1ITGA4
SCHEMBL5257092 0.80 ITGB1 (0.58) ITGB1ITGA4
SCHEMBL5252744 0.79 ITGB1 (0.53) ITGB1ITGA4

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
EP-1622867-B1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN ALPHA4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-19 EP claimed