SCHEMBL7544853

SCHEMBL7544853

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.42
▸ MMP3 P08254 10/20 0.41
▸ MMP1 P03956 3/20 0.41
▸ CTSL P07711 5/20 0.40
▸ ITGB1 P05556 2/20 0.39
▸ ITGA4 P13612 2/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ CTSB P07858 4/20 0.39
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL7544848 1.00 MMP2 (0.42) MMP2MMP3MMP1CTSLITGB1
SCHEMBL7538390 0.94 NPY4R (0.40) MMP2MMP3MMP1CTSLITGB1
SCHEMBL7538623 0.94 MMP2 (0.40) MMP2MMP3MMP1CTSLITGB1
SCHEMBL7538619 0.94 MMP2 (0.40) MMP2MMP3MMP1CTSLITGB1
SCHEMBL7538394 0.94 NPY4R (0.40) MMP2MMP3MMP1CTSLITGB1
SCHEMBL7544796 0.94 MEN1 (0.39) MMP2CTSLITGB1ITGA4GAA
SCHEMBL7544791 0.94 MEN1 (0.39) MMP2CTSLITGB1ITGA4GAA
SCHEMBL7542586 0.94 GRN (0.39) MMP2MMP3MMP1CTSLITGB1
SCHEMBL7542594 0.94 GRN (0.39) MMP2MMP3MMP1CTSLITGB1
SCHEMBL7541538 0.93 ANPEP (0.43) MMP2MMP3MMP1CTSLMMP9

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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