SCHEMBL8439874

SCHEMBL8439874

CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N1C[C@@H](S)C[C@H]1C(=O)N1CCC(NC(=N)CC(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
GAA P10253 1/20 0.34
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
KMT2A Q03164 1/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL8438780 0.96 ALDH1A1 (0.34) EPHX2ALDH1A1MAPTSIGMAR1GAA
SCHEMBL8540858 0.90 EPHX2 (0.38) EPHX2ALDH1A1MAPTSIGMAR1MMP2
SCHEMBL8436014 0.86 HSD11B1 (0.40) EPHX2ALDH1A1MAPTSIGMAR1MMP2
SCHEMBL8540640 0.86 EPHX2 (0.35) EPHX2ALDH1A1MAPTSIGMAR1MMP2
SCHEMBL8439764 0.86 EPHX2 (0.39) EPHX2ALDH1A1MAPTSIGMAR1GAA
SCHEMBL8437058 0.85 NPBWR1 (0.38) ALDH1A1MAPTKMT2ANPBWR1MCHR1
SCHEMBL8436695 0.85 HSD11B1 (0.35) EPHX2ALDH1A1MAPTSIGMAR1
SCHEMBL8440441 0.85 HSD11B1 (0.35) EPHX2ALDH1A1MAPTSIGMAR1
SCHEMBL8537657 0.84 DPP8 (0.33) EPHX2ALDH1A1MAPTSIGMAR1MMP2
SCHEMBL8434757 0.83 ALDH1A1 (0.41) ALDH1A1MAPTKMT2ANPBWR1MCHR1

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