SCHEMBL7544727

SCHEMBL7544727

Cc1cccc(C)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)c1ccccc1Br)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 11/20 0.54
ICAM1 P05362 11/20 0.54
ITGAL P20701 11/20 0.54
L3MBTL1 Q9Y468 1/20 0.46
ITGB1 P05556 3/20 0.44
ITGA4 P13612 3/20 0.44
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 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
SCHEMBL7541035 0.93 ITGB2 (0.56) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7538542 0.92 ITGB2 (0.55) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7543897 0.92 ITGB2 (0.55) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7563730 0.90 ITGB2 (0.61) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7547020 0.89 ITGB2 (0.54) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7542691 0.89 ITGB2 (0.55) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7538763 0.89 ITGB2 (0.54) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7542026 0.89 ITGB2 (0.54) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7541122 0.88 ITGB2 (0.53) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7544967 0.86 ITGB2 (0.51) ITGB2ICAM1ITGALL3MBTL1ITGB1

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