SCHEMBL7541283

SCHEMBL7541283

Cc1cccc(Br)c1C(=O)NC(Cc1c[nH]c(=O)nc1NC(=O)c1c(Cl)cccc1Cl)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.62
ITGA4 P13612 15/20 0.62
ITGB2 P05107 5/20 0.56
ICAM1 P05362 5/20 0.56
ITGAL P20701 5/20 0.56
ITGB7 P26010 2/20 0.52
ITGA2 P17301 1/20 0.52

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
SCHEMBL7539278 1.00 ITGB1 (0.62) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7544767 0.94 ITGB1 (0.52) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7543897 0.94 ITGB2 (0.55) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7542050 0.94 ITGB2 (0.60) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7544012 0.94 ITGB2 (0.60) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7540625 0.94 ITGB2 (0.60) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7541919 0.94 ITGB2 (0.60) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7538542 0.92 ITGB2 (0.55) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7546236 0.90 ITGB2 (0.53) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7542020 0.90 ITGB2 (0.53) ITGB1ITGA4ITGB2ICAM1ITGAL

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