SCHEMBL7544703

SCHEMBL7544703

COc1cccc(OC)c1C(=O)N[C@@H](Cc1c[nH]c(=O)nc1NC(=O)c1c(Cl)cccc1Cl)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.51
ICAM1 P05362 3/20 0.51
ITGAL P20701 3/20 0.51
ITGA4 P13612 17/20 0.50
ITGB1 P05556 16/20 0.50
ITGB7 P26010 9/20 0.50
ITGA2 P17301 1/20 0.45

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
SCHEMBL7544261 1.00 ITGB2 (0.51) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7539842 1.00 ITGB2 (0.51) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7545077 1.00 ITGB2 (0.51) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7538530 0.94 ITGB2 (0.48) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7548579 0.92 ITGB2 (0.49) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7539481 0.92 ITGB2 (0.49) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7542847 0.92 ITGB2 (0.47) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7546236 0.92 ITGB2 (0.53) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7542020 0.92 ITGB2 (0.53) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7544812 0.90 ITGB2 (0.56) 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