SCHEMBL7538745

SCHEMBL7538745

O=C(N[C@@H](Cc1c[nH]c(=O)nc1NC(=O)c1c(Cl)cccc1Cl)C(=O)O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.45
ICAM1 P05362 3/20 0.45
ITGAL P20701 3/20 0.45
ITGB1 P05556 14/20 0.44
ITGA4 P13612 13/20 0.44
ITGB7 P26010 3/20 0.44
ITGAV P06756 1/20 0.43
TACR1 P25103 1/20 0.42
GPR132 Q9UNW8 1/20 0.42
ITGA2 P17301 1/20 0.41
ERAP2 Q6P179 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
SCHEMBL7539335 0.93 ITGB2 (0.50) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7539177 0.91 ITGB2 (0.49) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7541285 0.91 ITGB2 (0.48) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7538511 0.91 ITGB1 (0.47) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7541565 0.91 UBASH3B (0.48) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7539022 0.91 UBASH3B (0.48) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7546236 0.91 ITGB2 (0.53) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7542020 0.91 ITGB2 (0.53) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7539253 0.89 ITGB1 (0.49) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7542690 0.89 TACR1 (0.43) 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