SCHEMBL6563228

SCHEMBL6563228

CC(=O)[C@H]1C[C@H](C(=O)N[C@@H](Cc2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2)C(=O)O)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.43
ITGB1 P05556 18/20 0.43
ITGA2 P17301 1/20 0.40
ITGB7 P26010 1/20 0.40

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
SCHEMBL6560137 1.00 ITGA4 (0.43) ITGA4ITGB1ITGA2ITGB7
SCHEMBL6560142 1.00 ITGA4 (0.43) ITGA4ITGB1ITGA2ITGB7
SCHEMBL6561290 0.94 ITGA4 (0.43) ITGA4ITGB1ITGA2ITGB7
SCHEMBL6561286 0.94 ITGA4 (0.43) ITGA4ITGB1ITGA2ITGB7
SCHEMBL6561165 0.92 KMT2A (0.37) ITGA4ITGB1
SCHEMBL6561171 0.92 KMT2A (0.37) ITGA4ITGB1
SCHEMBL6560407 0.87 ITGA4 (0.51) ITGA4ITGB1ITGB7
SCHEMBL6560411 0.87 ITGA4 (0.51) ITGA4ITGB1ITGB7
SCHEMBL6561753 0.87 ITGA4 (0.51) ITGA4ITGB1ITGB7
SCHEMBL7098565 0.83 NPSR1 (0.44) ITGA4ITGB1

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