SCHEMBL7538388

SCHEMBL7538388

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 7/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ACE P12821 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ CTSB P07858 4/20 0.34
▸ MMP2 P08253 2/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP3 P08254 1/20 0.33

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
SCHEMBL7538392 1.00 CTSL (0.38) CTSLMEN1KMT2AACEMAPT
SCHEMBL7546360 0.94 MMP2 (0.39) CTSLCTSBMMP2ITGB1ITGA4
SCHEMBL7546365 0.94 MMP2 (0.39) CTSLCTSBMMP2ITGB1ITGA4
SCHEMBL7541227 0.94 MMP2 (0.37) CTSLMEN1KMT2AALDH1A1CTSB
SCHEMBL7540807 0.93 ANPEP (0.40) CTSLMAPTALDH1A1CTSBMMP2
SCHEMBL7539323 0.92 MEN1 (0.39) CTSLMEN1KMT2AACEMAPT
SCHEMBL7544791 0.91 MEN1 (0.39) CTSLMEN1KMT2AACEMAPT
SCHEMBL7544796 0.91 MEN1 (0.39) CTSLMEN1KMT2AACEMAPT
SCHEMBL7540036 0.88 MEN1 (0.39) CTSLMEN1KMT2AACEMAPT
SCHEMBL7540033 0.88 MEN1 (0.39) CTSLMEN1KMT2AACEMAPT

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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