SCHEMBL7539705

SCHEMBL7539705

COc1ccc(C(=O)NC(Cc2c[nH]c(=O)nc2NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.49
ITGA4 P13612 12/20 0.49
ITGB7 P26010 3/20 0.46
ITGB2 P05107 2/20 0.45
ICAM1 P05362 2/20 0.45
ITGAL P20701 2/20 0.45
PPARG P37231 1/20 0.43
KMT2A Q03164 1/20 0.43
CA2 P00918 1/20 0.42
PTPN1 P18031 1/20 0.42
ITGA2 P17301 1/20 0.42
MMP9 P14780 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
SCHEMBL7539253 0.92 ITGB1 (0.49) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL7541018 0.90 KMT2A (0.45) ITGB2ICAM1ITGALPPARGKMT2A
SCHEMBL7545919 0.90 ITGB2 (0.49) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL7540086 0.90 ITGB2 (0.49) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL7541565 0.90 UBASH3B (0.48) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL7539022 0.90 UBASH3B (0.48) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL7539335 0.90 ITGB2 (0.50) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL7541192 0.89 ITGB1 (0.47) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL7542020 0.88 ITGB2 (0.53) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL7546236 0.88 ITGB2 (0.53) ITGB1ITGA4ITGB7ITGB2ICAM1

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