SCHEMBL7541192

SCHEMBL7541192

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 14/20 0.47
ITGA4 P13612 12/20 0.47
ITGB2 P05107 4/20 0.45
ICAM1 P05362 4/20 0.45
ITGAL P20701 4/20 0.45
ITGB7 P26010 2/20 0.42
ITGAV P06756 2/20 0.41
ITGB3 P05106 1/20 0.41
ITGA5 P08648 1/20 0.41
ITGA2 P17301 1/20 0.41
FPR2 P25090 1/20 0.41
UBASH3B Q8TF42 1/20 0.40

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 0.93 UBASH3B (0.48) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7541565 0.93 UBASH3B (0.48) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7539335 0.93 ITGB2 (0.50) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7538511 0.91 ITGB1 (0.47) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7540086 0.91 ITGB2 (0.49) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7542020 0.91 ITGB2 (0.53) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7546236 0.91 ITGB2 (0.53) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7544967 0.89 ITGB2 (0.51) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7544767 0.89 ITGB1 (0.52) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7539705 0.89 ITGB1 (0.49) 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