SCHEMBL6561167

SCHEMBL6561167

O=C(Nc1ccc(C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)O)C2)C(=O)O)cc1)c1c(Cl)cccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.63
ITGB1 P05556 19/20 0.63
ITGA2 P17301 1/20 0.63
ITGB7 P26010 1/20 0.63

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
SCHEMBL6561162 1.00 ITGA4 (0.63) ITGA4ITGB1ITGA2ITGB7
SCHEMBL6561172 1.00 ITGA4 (0.63) ITGA4ITGB1ITGA2ITGB7
SCHEMBL6561759 0.82 ITGB1 (0.54) ITGA4ITGB1ITGA2ITGB7
SCHEMBL6563443 0.82 ITGA4 (0.59) ITGA4ITGB1ITGA2ITGB7
SCHEMBL6561757 0.82 ITGB1 (0.54) ITGA4ITGB1ITGA2ITGB7
SCHEMBL6561736 0.82 ITGB1 (0.62) ITGA4ITGB1ITGA2ITGB7
SCHEMBL6561603 0.82 ITGB1 (0.62) ITGA4ITGB1ITGA2ITGB7
SCHEMBL6561577 0.82 ITGB1 (0.62) ITGA4ITGB1ITGA2ITGB7
SCHEMBL6561188 0.82 ITGB1 (0.62) ITGA4ITGB1ITGA2ITGB7
SCHEMBL6561185 0.82 ITGB1 (0.62) ITGA4ITGB1ITGA2ITGB7

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