SCHEMBL6562715

SCHEMBL6562715

O=C(O)c1ccccc1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)O

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 0.71
ITGB7 P26010 1/20 0.71

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
SCHEMBL6508908 0.90 ITGA4 (0.80) ITGB1ITGA4
SCHEMBL6827984 0.89 ITGB1 (0.74) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6640255 0.87 ITGB1 (0.73) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6827815 0.87 ITGB1 (0.81) ITGB1ITGA4ITGA2ITGB7
SCHEMBL27702070 0.87 ITGB1 (0.73) ITGB1ITGA4ITGA2ITGB7
Alcohol SCHEMBL6827978 0.86 ITGB1 (0.72) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6641661 0.85 ITGB1 (0.74) ITGB1ITGA4ITGA2ITGB7
SCHEMBL27683036 0.85 ITGB1 (0.74) ITGB1ITGA4ITGA2ITGB7
Alcohol SCHEMBL6827812 0.84 ITGB1 (0.79) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7038432 0.84 ITGB1 (0.82) 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-1144365-B1 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2004-03-17 EP disclosed