SCHEMBL7543392

SCHEMBL7543392

CC(C)CC(NC(=O)Cc1ccc(NC(=C[N+](=O)[O-])Nc2ccccc2)cc1)C(=O)NC(CC=CCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 5/20 0.40
▸ CTSL P07711 5/20 0.40
▸ ITGB1 P05556 4/20 0.39
▸ ITGA4 P13612 4/20 0.39
▸ MMP3 P08254 6/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ CTSB P07858 4/20 0.39
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ REN P00797 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7543387 1.00 MMP2 (0.40) MMP2CTSLITGB1ITGA4MMP3
SCHEMBL7540417 0.94 CTSL (0.37) MMP2CTSLITGB1ITGA4MMP3
SCHEMBL7539472 0.94 MMP2 (0.38) MMP2CTSLITGB1ITGA4MMP3
SCHEMBL7539469 0.94 MMP2 (0.38) MMP2CTSLITGB1ITGA4MMP3
SCHEMBL7540421 0.94 CTSL (0.37) MMP2CTSLITGB1ITGA4MMP3
SCHEMBL7540036 0.94 MEN1 (0.39) CTSLITGB1ITGA4CTSBGAA
SCHEMBL7539878 0.94 GRN (0.39) MMP2CTSLITGB1ITGA4MMP3
SCHEMBL7539871 0.94 GRN (0.39) MMP2CTSLITGB1ITGA4MMP3
SCHEMBL7540033 0.94 MEN1 (0.39) CTSLITGB1ITGA4CTSBGAA
SCHEMBL7545840 0.93 ANPEP (0.43) MMP2CTSLMMP3MMP1MAPT

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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