SCHEMBL7548177

SCHEMBL7548177

CC(C)CC(NC(=O)Cc1ccc(N/C(=C/[N+](=O)[O-])Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC(Cc1ccccc1CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CTSL P07711 9/20 0.41
▸ MMP1 P03956 2/20 0.39
▸ FCER2 P06734 1/20 0.39
▸ MMP2 P08253 4/20 0.38
▸ REN P00797 1/20 0.38
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ CTSB P07858 5/20 0.37
▸ MMP3 P08254 2/20 0.37
▸ ACE P12821 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 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
SCHEMBL7548182 1.00 MEN1 (0.43) MEN1KMT2ACTSLMMP1FCER2
SCHEMBL7540598 0.93 ACE (0.39) CTSLMMP1MMP2RENITGB1
SCHEMBL7540592 0.93 ACE (0.39) CTSLMMP1MMP2RENITGB1
SCHEMBL7538529 0.93 MMP2 (0.41) CTSLMMP1MMP2RENITGB1
SCHEMBL7538534 0.93 MMP2 (0.41) CTSLMMP1MMP2RENITGB1
SCHEMBL7538783 0.93 PSMB11 (0.39) MEN1KMT2ACTSLMMP1MMP2
SCHEMBL7538788 0.93 PSMB11 (0.39) MEN1KMT2ACTSLMMP1MMP2
SCHEMBL7543373 0.92 HDAC3 (0.45) MMP1RENMMP3ALDH1A1MAPT
SCHEMBL7543377 0.92 HDAC3 (0.45) MMP1RENMMP3ALDH1A1MAPT
SCHEMBL7541665 0.92 MEN1 (0.46) MEN1KMT2ACTSLMMP1FCER2

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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