SCHEMBL5254682

SCHEMBL5254682

COC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NS(=O)(=O)N(C)C

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.53
ITGA4 P13612 20/20 0.53
ITGA2 P17301 1/20 0.53
ITGB7 P26010 1/20 0.53

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
SCHEMBL5257092 0.90 ITGB1 (0.58) ITGB1ITGA4
SCHEMBL5227929 0.89 ITGB1 (0.64) ITGB1ITGA4ITGA2ITGB7
SCHEMBL5255764 0.89 ITGB1 (0.53) ITGB1ITGA4ITGA2ITGB7
SCHEMBL5256381 0.86 ITGB1 (0.51) ITGB1ITGA4ITGA2ITGB7
SCHEMBL5254818 0.82 CA12 (0.65) ITGB1ITGA4ITGA2ITGB7
SCHEMBL5260775 0.81 ITGB1 (0.54) ITGB1ITGA4ITGA2ITGB7
SCHEMBL5228535 0.80 ITGB1 (0.60) ITGB1ITGA4ITGA2ITGB7
SCHEMBL5227327 0.79 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL5256390 0.79 ITGB1 (0.51) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6639157 0.79 ITGB1 (0.80) ITGB1ITGA4ITGA2ITGB7

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