SCHEMBL7539253

SCHEMBL7539253

COc1cccc(C(=O)NC(Cc2c[nH]c(=O)nc2NC(=O)c2c(Cl)cccc2Cl)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.49
ITGA4 P13612 11/20 0.49
GPR132 Q9UNW8 2/20 0.46
ITGB2 P05107 3/20 0.44
ICAM1 P05362 3/20 0.44
ITGAL P20701 3/20 0.44
TACR1 P25103 1/20 0.44
ITGB7 P26010 4/20 0.42
GPR139 Q6DWJ6 2/20 0.41
ITGA2 P17301 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
SCHEMBL7539705 0.92 ITGB1 (0.49) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7540043 0.91 TACR1 (0.46) GPR132ITGB2ICAM1ITGALTACR1
SCHEMBL7538707 0.91 ITGB2 (0.48) GPR132ITGB2ICAM1ITGALTACR1
SCHEMBL7541285 0.89 ITGB2 (0.48) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7538745 0.89 ITGB2 (0.45) ITGB1ITGA4GPR132ITGB2ICAM1
SCHEMBL7539335 0.89 ITGB2 (0.50) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7538511 0.87 ITGB1 (0.47) ITGB1ITGA4GPR132ITGB2ICAM1
SCHEMBL7546236 0.87 ITGB2 (0.53) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7542020 0.87 ITGB2 (0.53) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7539842 0.86 ITGB2 (0.51) ITGB1ITGA4ITGB2ICAM1ITGAL

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