SCHEMBL7544812

SCHEMBL7544812

COc1cccc(OC)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)c1c(C)cccc1C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.56
ICAM1 P05362 6/20 0.56
ITGAL P20701 6/20 0.56
L3MBTL1 Q9Y468 1/20 0.47
ITGB1 P05556 6/20 0.43
ITGA4 P13612 5/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ITGB7 P26010 2/20 0.41
ITGA2 P17301 1/20 0.41
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA5 P08648 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL7547460 1.00 ITGB2 (0.56) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7538530 0.95 ITGB2 (0.48) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7547033 0.94 ITGB2 (0.49) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7563730 0.92 ITGB2 (0.61) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7541122 0.92 ITGB2 (0.53) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7539834 0.92 ITGB2 (0.48) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL7544261 0.90 ITGB2 (0.51) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7539842 0.90 ITGB2 (0.51) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7538428 0.90 ITGB2 (0.55) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7545077 0.90 ITGB2 (0.51) ITGB2ICAM1ITGALITGB1ITGA4

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