SCHEMBL6636739

SCHEMBL6636739

Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)OC(C)C

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.77
ITGA4 P13612 20/20 0.77
ITGA2 P17301 1/20 0.77
ITGB7 P26010 1/20 0.77

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
SCHEMBL6637068 0.92 ITGB1 (0.80) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6639157 0.92 ITGB1 (0.80) ITGB1ITGA4ITGA2ITGB7
SCHEMBL27519787 0.92 ITGB1 (0.80) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6638839 0.91 ITGB1 (0.78) ITGB1ITGA4ITGA2ITGB7
SCHEMBL27702074 0.91 ITGB1 (0.78) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6641364 0.90 ITGB1 (0.74) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6638098 0.88 ITGB1 (0.74) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6641244 0.88 ITGB1 (0.74) ITGB1ITGA4ITGA2ITGB7
SCHEMBL14802063 0.87 ITGB1 (1.00) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6641625 0.87 ITGB1 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005445-B1 N-ALKANOYLPHENYLALANINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-05-26 EP claimed
EP-1005445-A1 N-ALKANOYLPHENYLALANINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-07 EP disclosed
WO-1999010312-A1 N-ALKANOYLPHENYLALANINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-04 WO disclosed