SCHEMBL7544967

SCHEMBL7544967

Cc1cccc(C)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)c1ccc(Br)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 8/20 0.51
ICAM1 P05362 8/20 0.51
ITGAL P20701 8/20 0.51
L3MBTL1 Q9Y468 1/20 0.44
ITGB1 P05556 4/20 0.41
ITGA4 P13612 4/20 0.41
FPR2 P25090 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
ITGA2 P17301 1/20 0.39
ITGB7 P26010 1/20 0.39

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
SCHEMBL7539088 0.93 ITGB2 (0.52) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7545879 0.91 ITGB2 (0.49) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7546409 0.91 ITGB2 (0.51) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7563730 0.91 ITGB2 (0.61) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7545919 0.89 ITGB2 (0.49) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7541192 0.89 ITGB1 (0.47) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7543897 0.89 ITGB2 (0.55) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7538542 0.89 ITGB2 (0.55) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7542032 0.89 FPR2 (0.41) ITGB2ICAM1ITGALFPR2HDAC3
SCHEMBL7540060 0.87 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