SCHEMBL7546409

SCHEMBL7546409

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.51
ICAM1 P05362 4/20 0.51
ITGAL P20701 4/20 0.51
UBASH3B Q8TF42 1/20 0.46
ITGB1 P05556 7/20 0.46
ITGA4 P13612 7/20 0.46
PPARG P37231 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ITGA2 P17301 1/20 0.43
ITGB7 P26010 1/20 0.43
WDR5 P61964 2/20 0.40
KMT2A Q03164 2/20 0.40
TACR1 P25103 1/20 0.40
CCKBR P32239 1/20 0.40
CA2 P00918 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
SCHEMBL7539088 0.93 ITGB2 (0.52) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7539177 0.91 ITGB2 (0.49) ITGB2ICAM1ITGALUBASH3BITGB1
SCHEMBL7544967 0.91 ITGB2 (0.51) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7539022 0.91 UBASH3B (0.48) ITGB2ICAM1ITGALUBASH3BITGB1
SCHEMBL7541565 0.91 UBASH3B (0.48) ITGB2ICAM1ITGALUBASH3BITGB1
SCHEMBL7563730 0.91 ITGB2 (0.61) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7545919 0.89 ITGB2 (0.49) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7544012 0.89 ITGB2 (0.60) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7540625 0.89 ITGB2 (0.60) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7541919 0.89 ITGB2 (0.60) 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