SCHEMBL7544796

SCHEMBL7544796

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CTSL P07711 4/20 0.39
▸ PDF Q9HBH1 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ACE P12821 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SSTR3 P32745 1/20 0.37
▸ TGM2 P21980 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL7544791 1.00 MEN1 (0.39) MEN1KMT2ACTSLPDFALDH1A1
SCHEMBL7544853 0.94 MMP2 (0.42) CTSLMAPTMMP2ITGB1ITGA4
SCHEMBL7544848 0.94 MMP2 (0.42) CTSLMAPTMMP2ITGB1ITGA4
SCHEMBL7538619 0.93 MMP2 (0.40) MEN1KMT2ACTSLALDH1A1MAPT
SCHEMBL7538390 0.93 NPY4R (0.40) CTSLMAPTMMP2ITGB1ITGA4
SCHEMBL7538623 0.93 MMP2 (0.40) MEN1KMT2ACTSLALDH1A1MAPT
SCHEMBL7538394 0.93 NPY4R (0.40) CTSLMAPTMMP2ITGB1ITGA4
SCHEMBL7542594 0.92 GRN (0.39) MEN1KMT2ACTSLALDH1A1MAPT
SCHEMBL7540033 0.92 MEN1 (0.39) MEN1KMT2ACTSLALDH1A1MAPT
SCHEMBL7540036 0.92 MEN1 (0.39) MEN1KMT2ACTSLALDH1A1MAPT

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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