SCHEMBL7539243

SCHEMBL7539243

CC(C)CC(C(=O)NC(Cc1ccccc1CC(NC(=O)Cc1ccccc1)C(=O)O)C(=O)O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.45
▸ ITGB1 P05556 6/20 0.44
▸ ITGA4 P13612 6/20 0.44
▸ FPR2 P25090 2/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ AVPR1A P37288 2/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ UTS2R Q9UKP6 1/20 0.41
▸ MMP7 P09237 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ PSMB11 A5LHX3 1/20 0.41
▸ PSMA7 O14818 1/20 0.41
▸ PSMB1 P20618 1/20 0.41
▸ PSMA1 P25786 1/20 0.41
▸ PSMA2 P25787 1/20 0.41
▸ PSMA3 P25788 1/20 0.41

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
SCHEMBL7544065 0.94 ITGB1 (0.47) ITGB1ITGA4FPR2MMP2MMP7
SCHEMBL7549214 0.92 ACE (0.46) ITGB1ITGA4FPR2MMP2MMP7
SCHEMBL7545886 0.92 ITGB1 (0.47) CNR2ITGB1ITGA4FPR2MMP2
SCHEMBL7539503 0.90 FPR2 (0.56) CNR2ITGB1ITGA4FPR2MMP3
SCHEMBL7547341 0.89 CNR2 (0.45) CNR2ITGB1ITGA4FPR2MAPK1
SCHEMBL7547339 0.89 CNR2 (0.45) CNR2ITGB1ITGA4FPR2MAPK1
SCHEMBL7544077 0.89 MAPK1 (0.42) FPR2MAPK1MMP2UTS2RMMP7
SCHEMBL7538904 0.88 MEN1 (0.48) ITGB1ITGA4FPR2KMT2AMMP2
SCHEMBL7545871 0.87 RNASEL (0.43) MMP2MMP7MMP9MMP12MMP13
SCHEMBL7540009 0.83 ITGB1 (0.45) ITGB1ITGA4MAPK1KMT2AMMP2

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
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