SCHEMBL7541577

SCHEMBL7541577

Cc1cccc(C)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)c1c(F)cccc1F)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 11/20 0.55
ICAM1 P05362 11/20 0.55
ITGAL P20701 11/20 0.55
ITGA4 P13612 7/20 0.50
ITGB1 P05556 6/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
ITGB7 P26010 2/20 0.43
ITGA2 P17301 1/20 0.43
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7563730 0.94 ITGB2 (0.61) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7544012 0.89 ITGB2 (0.60) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7538542 0.89 ITGB2 (0.55) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7542050 0.89 ITGB2 (0.60) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7541919 0.89 ITGB2 (0.60) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7538945 0.89 ITGB2 (0.60) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7545851 0.89 ITGB2 (0.60) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7540625 0.89 ITGB2 (0.60) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7543897 0.89 ITGB2 (0.55) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7538428 0.88 ITGB2 (0.55) ITGB2ICAM1ITGALITGA4ITGB1

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