SCHEMBL7540780

SCHEMBL7540780

COc1ccccc1C(=O)NC(Cc1c[nH]c(=O)nc1NC(=O)c1c(OC)cccc1OC)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 11/20 0.45
ICAM1 P05362 11/20 0.45
ITGAL P20701 11/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 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
SCHEMBL7539834 0.94 ITGB2 (0.48) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL7541122 0.94 ITGB2 (0.53) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL7538530 0.93 ITGB2 (0.48) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL7542847 0.93 ITGB2 (0.47) ITGB2ICAM1ITGAL
SCHEMBL7539481 0.93 ITGB2 (0.49) ITGB2ICAM1ITGAL
SCHEMBL7542026 0.93 ITGB2 (0.54) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL7548579 0.93 ITGB2 (0.49) ITGB2ICAM1ITGAL
SCHEMBL7545203 0.89 ITGB2 (0.43) ITGB2ICAM1ITGALHPGDMAPT
SCHEMBL7544812 0.89 ITGB2 (0.56) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL7547460 0.89 ITGB2 (0.56) ITGB2ICAM1ITGALKMT2AMEN1

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