SCHEMBL6561631

SCHEMBL6561631

CC(=O)[C@@H]1C[C@H](C(=O)N[C@@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(=O)O)C1(C)C

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.63
ITGB1 P05556 1/20 0.59

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
SCHEMBL6560206 1.00 ITGA4 (0.63) ITGA4ITGB1
SCHEMBL6560210 1.00 ITGA4 (0.63) ITGA4ITGB1
SCHEMBL6562462 0.94 ITGA4 (0.64) ITGA4ITGB1
SCHEMBL6561253 0.94 ITGA4 (0.64) ITGA4ITGB1
SCHEMBL6561257 0.94 ITGA4 (0.64) ITGA4ITGB1
SCHEMBL6563489 0.92 ITGA4 (0.53) ITGA4ITGB1
SCHEMBL6563488 0.92 ITGA4 (0.53) ITGA4ITGB1
SCHEMBL7101133 0.83 ITGA4 (0.62) ITGA4ITGB1
SCHEMBL7101130 0.83 ITGA4 (0.62) ITGA4ITGB1
SCHEMBL7098305 0.82 ITGA4 (0.61) 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 4 patents. 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
EP-1144365-A3 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 EP disclosed
EP-1144365-A2 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-10-17 EP disclosed
WO-2000037429-A2 INHIBITORS OF α4β1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-06-29 WO disclosed