SCHEMBL7538428

SCHEMBL7538428

COc1cccc(OC)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 5/20 0.43
ITGB1 P05556 4/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ITGB7 P26010 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
SCHEMBL7538530 0.94 ITGB2 (0.48) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7544812 0.90 ITGB2 (0.56) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7547460 0.90 ITGB2 (0.56) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7545077 0.89 ITGB2 (0.51) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7544703 0.89 ITGB2 (0.51) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7539842 0.89 ITGB2 (0.51) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7544261 0.89 ITGB2 (0.51) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL6807195 0.88 KMT2A (0.47) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7540780 0.88 ITGB2 (0.45) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL7541577 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