SCHEMBL7545928

SCHEMBL7545928

Cc1cccc(C)c1NC(=O)NCCC[C@H](NC(=O)c1c(Cl)cccc1Cl)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.53
ITGA4 P13612 10/20 0.53
ITGA2 P17301 1/20 0.53
ITGB7 P26010 1/20 0.53
PYGL P06737 6/20 0.52
ITGA5 P08648 1/20 0.47
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL7538483 0.91 ITGB1 (0.50) ITGB1ITGA4ITGA2ITGB7PYGL
SCHEMBL7539254 0.89 ITGB1 (0.44) ITGB1ITGA4ITGA2ITGB7PYGL
SCHEMBL7548629 0.84 ITGB1 (0.55) ITGB1ITGA4ITGA2ITGB7ITGA5
SCHEMBL7547233 0.81 TAS1R3 (0.43) ITGB1ITGA4ITGA2ITGB7PYGL
SCHEMBL7539479 0.81 ITGB1 (0.54) ITGB1ITGA4ITGA5ITGB2ICAM1
SCHEMBL7545114 0.80 ITGB2 (0.57) ITGB1ITGA4ITGA2ITGB7ITGA5
SCHEMBL7544739 0.79 ITGB2 (0.56) ITGB1ITGA4ITGA2ITGB7ITGA5
SCHEMBL7542115 0.78 TAAR1 (0.50) ITGB1ITGA4ITGA2ITGB7ITGA5
SCHEMBL7540918 0.76 FOLH1 (0.51) ITGB1ITGA4ITGB7ITGA5
SCHEMBL7538826 0.76 ITGB1 (0.53) ITGB1ITGA4ITGA2ITGB7PYGL

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