SCHEMBL5312486

SCHEMBL5312486

CC(C)N(C(C)C)S(=O)(=O)N[C@@](C)(Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.49
ITGA4 P13612 20/20 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
SCHEMBL5309992 0.86 ITGB1 (0.51) ITGB1ITGA4
SCHEMBL5226829 0.78 ITGB1 (0.68) ITGB1ITGA4
SCHEMBL5307756 0.78 ITGA4 (0.44) ITGB1ITGA4
SCHEMBL5358246 0.74 ITGB1 (0.64) ITGB1ITGA4
SCHEMBL7261859 0.73 ITGB1 (0.54) ITGB1ITGA4
SCHEMBL5227436 0.72 ITGB1 (0.64) ITGB1ITGA4
SCHEMBL5256231 0.72 TRPV1 (0.34)
SCHEMBL5806256 0.71 ITGB1 (0.58) ITGB1ITGA4
SCHEMBL5226968 0.71 ITGB1 (0.67) ITGB1ITGA4
SCHEMBL5227327 0.71 ITGB1 (0.69) 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