SCHEMBL7424543

SCHEMBL7424543

Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.82
ITGB1 P05556 18/20 0.78
ITGA4 P13612 18/20 0.78
ITGB7 P26010 8/20 0.78
ITGA2 P17301 1/20 0.78
ITGB2 P05107 1/20 0.65
ICAM1 P05362 1/20 0.65
ITGAL P20701 1/20 0.65

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
SCHEMBL4066390 0.90 L3MBTL1 (0.69) L3MBTL1ITGB1ITGA4ITGB7ITGA2
SCHEMBL7432342 0.89 L3MBTL1 (0.64) L3MBTL1ITGB1ITGA4ITGB7ITGA2
SCHEMBL6641625 0.88 ITGB1 (1.00) ITGB1ITGA4ITGB7ITGA2
SCHEMBL480284 0.88 ITGB1 (1.00) ITGB1ITGA4ITGB7ITGA2
SCHEMBL14802063 0.88 ITGB1 (1.00) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6638294 0.87 ITGB1 (0.98) ITGB1ITGA4ITGB7ITGA2
SCHEMBL18608870 0.86 ITGB1 (0.77) L3MBTL1ITGB1ITGA4ITGB7ITGA2
SCHEMBL7538961 0.86 ITGB1 (0.73) ITGB1ITGA4ITGB7ITGA2
SCHEMBL13726570 0.85 ITGA4 (0.72) L3MBTL1ITGB1ITGA4ITGB7ITGA2
Alcohol SCHEMBL6829612 0.85 ITGB1 (0.94) ITGB1ITGA4ITGB7ITGA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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