SCHEMBL7539834

SCHEMBL7539834

COc1cccc(OC)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)c1ccccc1C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 9/20 0.48
ICAM1 P05362 9/20 0.48
ITGAL P20701 9/20 0.48
POLB P06746 3/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 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
SCHEMBL7540780 0.94 ITGB2 (0.45) ITGB2ICAM1ITGALPOLBMAPT
SCHEMBL7541122 0.93 ITGB2 (0.53) ITGB2ICAM1ITGALPOLBTP53
SCHEMBL7544812 0.92 ITGB2 (0.56) ITGB2ICAM1ITGALPOLBTP53
SCHEMBL7547460 0.92 ITGB2 (0.56) ITGB2ICAM1ITGALPOLBTP53
SCHEMBL7541035 0.91 ITGB2 (0.56) ITGB2ICAM1ITGALPOLBTP53
SCHEMBL7538530 0.91 ITGB2 (0.48) ITGB2ICAM1ITGALPOLBTP53
SCHEMBL7542847 0.91 ITGB2 (0.47) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7542026 0.91 ITGB2 (0.54) ITGB2ICAM1ITGALMAPTSMN1; SMN2
SCHEMBL7547033 0.88 ITGB2 (0.49) ITGB2ICAM1ITGALPOLBTP53
SCHEMBL7540127 0.88 ITGB2 (0.55) 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