SCHEMBL7544678

SCHEMBL7544678

CC(C)CC(NC(=O)Cc1ccc(NC(=NC#N)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 16)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PDF Q9HBH1 1/20 0.37
▸ ACE P12821 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SSTR3 P32745 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ MMP3 P08254 2/20 0.34
▸ TGM2 P21980 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 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
SCHEMBL7540704 0.93 CTSL (0.39) CTSLMEN1KMT2AACEALDH1A1
SCHEMBL7538819 0.92 CTSL (0.36) CTSLMEN1KMT2AACEALDH1A1
SCHEMBL7540003 0.91 CTSL (0.44) CTSLMAPTGAAMMP3MMP1
SCHEMBL7541963 0.91 MEN1 (0.42) CTSLMEN1KMT2AACEMMP3
SCHEMBL7544736 0.90 NPY4R (0.42) CTSLMAPTMMP3MMP1MMP2
SCHEMBL7547038 0.90 P2RX7 (0.40) CTSLALDH1A1MAPTMMP3MMP1
SCHEMBL7541145 0.90 CTSL (0.39) CTSLMEN1KMT2AACEALDH1A1
SCHEMBL7538662 0.89 GRN (0.40) CTSLKMT2AALDH1A1MAPTMMP3
SCHEMBL7545888 0.89 MEN1 (0.42) CTSLMEN1KMT2APDFACE
SCHEMBL7541663 0.89 ANPEP (0.44) CTSLMEN1KMT2AALDH1A1MAPT

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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