SCHEMBL8540640

SCHEMBL8540640

CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(C)=NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
MMP2 P08253 1/20 0.35
ANPEP P15144 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
EPHX1 P07099 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 2/20 0.33
HSD11B1 P28845 1/20 0.33
C3AR1 Q16581 1/20 0.33

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
SCHEMBL8540858 0.96 EPHX2 (0.38) EPHX2MMP2ANPEPSIGMAR1EPHX1
SCHEMBL8542239 0.94 EPHX2 (0.35) EPHX2MMP2ANPEPSIGMAR1EPHX1
SCHEMBL8436014 0.94 HSD11B1 (0.40) EPHX2MMP2ANPEPSIGMAR1EPHX1
SCHEMBL8541702 0.94 EPHX2 (0.35) EPHX2MMP2ANPEPSIGMAR1EPHX1
SCHEMBL8540849 0.91 EPHX2 (0.36) EPHX2MMP2ANPEPSIGMAR1EPHX1
SCHEMBL8438780 0.90 ALDH1A1 (0.34) EPHX2MMP2ANPEPSIGMAR1DPP8
SCHEMBL8537657 0.89 DPP8 (0.33) EPHX2MMP2ANPEPSIGMAR1DPP8
SCHEMBL8437767 0.89 EPHX1 (0.36) MMP2ANPEPEPHX1DPP8DPP9
SCHEMBL8580350 0.87 MMP2 (0.36) MMP2ANPEPEPHX1DPP8DPP9
SCHEMBL8542182 0.87 EPHX2 (0.34) EPHX2MMP2ANPEPSIGMAR1EPHX1

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