SCHEMBL8540858

SCHEMBL8540858

CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)NC1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(C)=NC(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
EPHX1 P07099 1/20 0.36
MMP2 P08253 1/20 0.35
ANPEP P15144 1/20 0.35
KMT2A Q03164 1/20 0.35
C3AR1 Q16581 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8540640 0.96 EPHX2 (0.35) EPHX2SIGMAR1EPHX1MMP2ANPEP
SCHEMBL8439767 0.90 EPHX2 (0.39) EPHX2SIGMAR1EPHX1MMP2ANPEP
SCHEMBL8439874 0.90 EPHX2 (0.35) EPHX2SIGMAR1MMP2ANPEPKMT2A
SCHEMBL8436014 0.90 HSD11B1 (0.40) EPHX2SIGMAR1EPHX1MMP2ANPEP
SCHEMBL8541702 0.90 EPHX2 (0.35) EPHX2SIGMAR1EPHX1MMP2ANPEP
SCHEMBL8542239 0.90 EPHX2 (0.35) EPHX2SIGMAR1EPHX1MMP2ANPEP
SCHEMBL8437058 0.88 NPBWR1 (0.38) KMT2ANPBWR1MCHR1DPP8DPP9
SCHEMBL8537657 0.87 DPP8 (0.33) EPHX2SIGMAR1MMP2ANPEPKMT2A
SCHEMBL8434757 0.87 ALDH1A1 (0.41) KMT2ANPBWR1MCHR1DPP8DPP9
SCHEMBL8438780 0.86 ALDH1A1 (0.34) EPHX2SIGMAR1MMP2ANPEPDPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed