SCHEMBL7540598

SCHEMBL7540598

CC(C)CC(NC(=O)Cc1ccc(NC(=C[N+](=O)[O-])Nc2ccc(O)cc2)cc1)C(=O)NC(Cc1ccccc1CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.39
▸ CTSL P07711 7/20 0.39
▸ CTSB P07858 6/20 0.39
▸ FOLH1 Q04609 1/20 0.38
▸ REN P00797 1/20 0.38
▸ MMP2 P08253 3/20 0.38
▸ OPRD1 P41143 2/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ IL1RN P18510 1/20 0.38
▸ ERAP2 Q6P179 1/20 0.38
▸ MMP3 P08254 2/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ NPY4R P50391 1/20 0.37

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
SCHEMBL7540592 1.00 ACE (0.39) ACECTSLCTSBFOLH1REN
SCHEMBL7538529 0.94 MMP2 (0.41) CTSLCTSBRENMMP2ITGB1
SCHEMBL7538534 0.94 MMP2 (0.41) CTSLCTSBRENMMP2ITGB1
SCHEMBL7548182 0.93 MEN1 (0.43) ACECTSLCTSBRENMMP2
SCHEMBL7538788 0.93 PSMB11 (0.39) CTSLCTSBRENMMP2ITGB1
SCHEMBL7538783 0.93 PSMB11 (0.39) CTSLCTSBRENMMP2ITGB1
SCHEMBL7548177 0.93 MEN1 (0.43) ACECTSLCTSBRENMMP2
SCHEMBL7543377 0.93 HDAC3 (0.45) RENMMP3MMP1
SCHEMBL7543373 0.93 HDAC3 (0.45) RENMMP3MMP1
SCHEMBL7538390 0.90 NPY4R (0.40) CTSLCTSBFOLH1MMP2ITGB1

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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