SCHEMBL7542690

SCHEMBL7542690

COc1cccc(OC)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)c1cccc(Cl)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.43
ITGB2 P05107 6/20 0.41
ICAM1 P05362 6/20 0.41
ITGAL P20701 6/20 0.41
PPARG P37231 1/20 0.40
ERAP2 Q6P179 1/20 0.40
HPGD P15428 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
GRM5 P41594 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BBOX1 O75936 2/20 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
SCHEMBL7549315 0.91 ITGB2 (0.42) TACR1ITGB2ICAM1ITGALERAP2
SCHEMBL7540043 0.91 TACR1 (0.46) TACR1ITGB2ICAM1ITGALERAP2
SCHEMBL7541000 0.90 ITGB2 (0.42) TACR1ITGB2ICAM1ITGALERAP2
SCHEMBL7538530 0.90 ITGB2 (0.48) ITGB2ICAM1ITGALHPGDITGB1
SCHEMBL7539177 0.89 ITGB2 (0.49) TACR1ITGB2ICAM1ITGALERAP2
SCHEMBL7538745 0.89 ITGB2 (0.45) TACR1ITGB2ICAM1ITGALERAP2
SCHEMBL7545077 0.88 ITGB2 (0.51) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7544261 0.88 ITGB2 (0.51) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7539842 0.88 ITGB2 (0.51) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7544703 0.88 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