SCHEMBL7545879

SCHEMBL7545879

Cc1cccc(C)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)c1cccc(Br)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 7/20 0.49
ICAM1 P05362 7/20 0.49
ITGAL P20701 7/20 0.49
L3MBTL1 Q9Y468 1/20 0.43
ITGB1 P05556 5/20 0.40
ITGA4 P13612 5/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
ERAP2 Q6P179 1/20 0.40
WDR5 P61964 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ITGA2 P17301 1/20 0.38
ITGB7 P26010 1/20 0.38

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
SCHEMBL7540060 0.91 ITGB2 (0.51) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7544967 0.91 ITGB2 (0.51) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7539177 0.90 ITGB2 (0.49) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7538511 0.90 ITGB1 (0.47) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7541000 0.89 ITGB2 (0.42) ITGB2ICAM1ITGALERAP2KMT2A
SCHEMBL7563730 0.89 ITGB2 (0.61) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7538707 0.88 ITGB2 (0.48) ITGB2ICAM1ITGALL3MBTL1TP53
SCHEMBL7543897 0.87 ITGB2 (0.55) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7539088 0.87 ITGB2 (0.52) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7538542 0.87 ITGB2 (0.55) 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