SCHEMBL7546396

SCHEMBL7546396

COc1cccc(OC)c1C(=O)NC(Cc1ccc(CC(NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.66
ITGA4 P13612 18/20 0.66
ITGB7 P26010 8/20 0.66
ITGA2 P17301 1/20 0.64
ITGA5 P08648 2/20 0.58

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
SCHEMBL1222489 0.91 ITGA4 (0.74) ITGB1ITGA4ITGB7
SCHEMBL1222491 0.91 ITGA4 (0.74) ITGB1ITGA4ITGB7
SCHEMBL13726200 0.89 ITGB1 (0.70) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL5783011 0.89 ITGA4 (0.65) ITGB1ITGA4ITGB7
SCHEMBL5787132 0.89 ITGA4 (0.65) ITGB1ITGA4ITGB7
SCHEMBL7538961 0.88 ITGB1 (0.73) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL5784933 0.87 ITGA4 (0.68) ITGB1ITGA4ITGB7
SCHEMBL5785174 0.87 ITGA4 (0.70) ITGB1ITGA4ITGB7
SCHEMBL5787343 0.86 ITGB1 (0.59) ITGB1ITGA4ITGB7ITGA2
SCHEMBL6473724 0.86 ITGB1 (0.59) ITGB1ITGA4ITGB7ITGA2

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-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed