SCHEMBL7540417

SCHEMBL7540417

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.37
▸ CTSB P07858 5/20 0.37
▸ FOLH1 Q04609 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ ITGB1 P05556 2/20 0.36
▸ ITGA4 P13612 2/20 0.36
▸ MMP2 P08253 2/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ NPY4R P50391 3/20 0.34
▸ NPY1R P25929 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ NPY2R P49146 1/20 0.34

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
SCHEMBL7540421 1.00 CTSL (0.37) CTSLCTSBFOLH1OPRD1ITGB1
SCHEMBL7543392 0.94 MMP2 (0.40) CTSLCTSBITGB1ITGA4MMP2
SCHEMBL7543387 0.94 MMP2 (0.40) CTSLCTSBITGB1ITGA4MMP2
SCHEMBL7539469 0.94 MMP2 (0.38) CTSLCTSBITGB1ITGA4MMP2
SCHEMBL7539472 0.94 MMP2 (0.38) CTSLCTSBITGB1ITGA4MMP2
SCHEMBL7539878 0.93 GRN (0.39) CTSLCTSBITGB1ITGA4MMP2
SCHEMBL7539871 0.93 GRN (0.39) CTSLCTSBITGB1ITGA4MMP2
SCHEMBL7540036 0.93 MEN1 (0.39) CTSLCTSBITGB1ITGA4MAPT
SCHEMBL7540033 0.93 MEN1 (0.39) CTSLCTSBITGB1ITGA4MAPT
SCHEMBL7545843 0.92 ANPEP (0.43) CTSLMMP2MAPTMMP1MMP3

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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