SCHEMBL7543897

SCHEMBL7543897

Cc1cccc(C)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)c1c(C)cccc1Br)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 7/20 0.55
ICAM1 P05362 7/20 0.55
ITGAL P20701 7/20 0.55
ITGB1 P05556 10/20 0.52
ITGA4 P13612 9/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
ITGA2 P17301 1/20 0.43
ITGB7 P26010 1/20 0.43
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39

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
SCHEMBL7538542 0.98 ITGB2 (0.55) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7563730 0.94 ITGB2 (0.61) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7541283 0.94 ITGB1 (0.62) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7539278 0.94 ITGB1 (0.62) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7547033 0.92 ITGB2 (0.49) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7544727 0.92 ITGB2 (0.54) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7544967 0.89 ITGB2 (0.51) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7541577 0.89 ITGB2 (0.55) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7544012 0.89 ITGB2 (0.60) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7540625 0.89 ITGB2 (0.60) ITGB2ICAM1ITGALITGB1ITGA4

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