SCHEMBL6561287

SCHEMBL6561287

CC1=C(C(=O)N[C@@H](Cc2ccc(C(=O)c3c(Cl)cccc3Cl)cc2)C(=O)O)C(C)(C)CCC1=CC#N

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.46
ITGA4 P13612 20/20 0.46
ITGA2 P17301 1/20 0.44
ITGB7 P26010 1/20 0.44

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
SCHEMBL6561698 0.90 ITGB1 (0.57) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6561701 0.90 ITGB1 (0.57) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6561013 0.83 ITGB1 (0.48) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6561021 0.83 ITGB1 (0.48) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6560292 0.79 ITGB1 (0.60) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6560288 0.79 ITGB1 (0.60) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6561242 0.75 ITGA4 (0.53) ITGB1ITGA4
SCHEMBL6561247 0.75 ITGA4 (0.53) ITGB1ITGA4
SCHEMBL6561195 0.74 ITGB1 (0.57) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6562539 0.73 ITGB1 (0.51) 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 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 claimed
EP-1144365-A3 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 EP claimed
EP-1144365-A2 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-10-17 EP claimed
WO-2000037429-A2 INHIBITORS OF α4β1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-06-29 WO claimed