SCHEMBL8540849

SCHEMBL8540849

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
ATM Q13315 1/20 0.36
MMP2 P08253 1/20 0.35
ANPEP P15144 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
EPHX1 P07099 1/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 2/20 0.34
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
HSD11B1 P28845 1/20 0.34
DRD4 P21917 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
SCHEMBL8439767 0.96 EPHX2 (0.39) EPHX2ATMMMP2ANPEPSIGMAR1
SCHEMBL9574308 0.93 ATM (0.38) ATMMMP2ANPEPEPHX1DPP8
SCHEMBL9574384 0.91 ALDH1A1 (0.36) EPHX2ATMMMP2ANPEPSIGMAR1
SCHEMBL9574276 0.91 ALDH1A1 (0.36) EPHX2ATMMMP2ANPEPSIGMAR1
SCHEMBL8541702 0.91 EPHX2 (0.35) EPHX2ATMMMP2ANPEPSIGMAR1
SCHEMBL8542239 0.91 EPHX2 (0.35) EPHX2ATMMMP2ANPEPSIGMAR1
SCHEMBL8540640 0.91 EPHX2 (0.35) EPHX2ATMMMP2ANPEPSIGMAR1
SCHEMBL8542182 0.88 EPHX2 (0.34) EPHX2ATMMMP2ANPEPSIGMAR1
SCHEMBL8435987 0.88 HSD11B1 (0.44) EPHX2ATMMMP2ANPEPSIGMAR1
SCHEMBL8435984 0.88 HSD11B1 (0.44) EPHX2ATMMMP2ANPEPSIGMAR1

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