SCHEMBL7541565

SCHEMBL7541565

O=C(NC(Cc1c[nH]c(=O)nc1NC(=O)c1c(Cl)cccc1Cl)C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UBASH3B Q8TF42 1/20 0.48
ITGB2 P05107 4/20 0.46
ICAM1 P05362 4/20 0.46
ITGAL P20701 4/20 0.46
PPARG P37231 1/20 0.46
ITGB1 P05556 12/20 0.43
ITGA4 P13612 10/20 0.43
ITGB7 P26010 3/20 0.43
ITGA2 P17301 1/20 0.43
ITGAV P06756 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGA5 P08648 1/20 0.42
TACR1 P25103 1/20 0.41
CA2 P00918 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
SCHEMBL7539022 1.00 UBASH3B (0.48) UBASH3BITGB2ICAM1ITGALPPARG
SCHEMBL7539335 0.94 ITGB2 (0.50) UBASH3BITGB2ICAM1ITGALITGB1
SCHEMBL7541192 0.93 ITGB1 (0.47) UBASH3BITGB2ICAM1ITGALITGB1
SCHEMBL7540086 0.93 ITGB2 (0.49) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7542020 0.92 ITGB2 (0.53) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7546236 0.92 ITGB2 (0.53) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7538745 0.91 ITGB2 (0.45) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7546409 0.91 ITGB2 (0.51) UBASH3BITGB2ICAM1ITGALPPARG
SCHEMBL7539705 0.90 ITGB1 (0.49) ITGB2ICAM1ITGALPPARGITGB1
SCHEMBL7547093 0.88 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