SCHEMBL8438780

SCHEMBL8438780

CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N1C[C@@H](S)C[C@H]1C(=O)N1CC[C@H](NC(=N)CC(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
EPHX2 P34913 1/20 0.33
GAA P10253 1/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8439874 0.96 EPHX2 (0.35) ALDH1A1MAPTEPHX2GAAMMP2
SCHEMBL8436014 0.90 HSD11B1 (0.40) ALDH1A1MAPTEPHX2MMP2ANPEP
SCHEMBL8540640 0.90 EPHX2 (0.35) ALDH1A1MAPTEPHX2MMP2ANPEP
SCHEMBL8440441 0.89 HSD11B1 (0.35) ALDH1A1MAPTEPHX2DPP8DPP9
SCHEMBL8436695 0.89 HSD11B1 (0.35) ALDH1A1MAPTEPHX2DPP8DPP9
SCHEMBL8540858 0.86 EPHX2 (0.38) ALDH1A1MAPTEPHX2MMP2ANPEP
SCHEMBL8440242 0.86 ALDH1A1 (0.37) ALDH1A1MAPTEPHX2GAAMMP2
SCHEMBL8537657 0.86 DPP8 (0.33) ALDH1A1MAPTEPHX2MMP2ANPEP
SCHEMBL8439582 0.85 DPP8 (0.32) ALDH1A1MAPTEPHX2DPP8DPP9
SCHEMBL8437765 0.84 DPP8 (0.37) ALDH1A1DPP8DPP9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed