SCHEMBL7542847

SCHEMBL7542847

COc1cccc(OC)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)c1ccccc1Cl)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 12/20 0.47
ICAM1 P05362 12/20 0.47
ITGAL P20701 12/20 0.47
ITGB1 P05556 7/20 0.44
ITGA4 P13612 6/20 0.44
ITGB7 P26010 2/20 0.42
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA5 P08648 1/20 0.41

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
SCHEMBL7539481 0.93 ITGB2 (0.49) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7548579 0.93 ITGB2 (0.49) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7540780 0.93 ITGB2 (0.45) ITGB2ICAM1ITGAL
SCHEMBL7544261 0.92 ITGB2 (0.51) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7544703 0.92 ITGB2 (0.51) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7539842 0.92 ITGB2 (0.51) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7545077 0.92 ITGB2 (0.51) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7539834 0.91 ITGB2 (0.48) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7547093 0.90 ITGB2 (0.49) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7542573 0.90 ITGB2 (0.49) 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