SCHEMBL8439764

SCHEMBL8439764

CN1C[C@@H](S)C[C@H]1C(=O)N1CCC(NC(=N)CC(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.36
DRD4 P21917 1/20 0.36
EPHX1 P07099 1/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL8440242 0.96 ALDH1A1 (0.37) EPHX2ALDH1A1MAPTSIGMAR1GAA
SCHEMBL9574302 0.92 ALDH1A1 (0.39) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8447158 0.86 TPSAB1 (0.39) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8439874 0.86 EPHX2 (0.35) EPHX2ALDH1A1MAPTSIGMAR1GAA
SCHEMBL8436695 0.85 HSD11B1 (0.35) EPHX2ALDH1A1MAPTSIGMAR1DPP8
SCHEMBL8440441 0.85 HSD11B1 (0.35) EPHX2ALDH1A1MAPTSIGMAR1DPP8
SCHEMBL8435984 0.84 HSD11B1 (0.44) EPHX2ALDH1A1MAPTSIGMAR1KMT2A
SCHEMBL8435987 0.84 HSD11B1 (0.44) EPHX2ALDH1A1MAPTSIGMAR1KMT2A
SCHEMBL8439767 0.84 EPHX2 (0.39) EPHX2ALDH1A1SIGMAR1KMT2ADRD4
SCHEMBL8435826 0.84 EPHX2 (0.38) EPHX2ALDH1A1MAPTSIGMAR1KMT2A

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