SCHEMBL8437704

SCHEMBL8437704

CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](NC(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
EPHX2 P34913 2/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
MMP2 P08253 1/20 0.35
ANPEP P15144 1/20 0.35
HSD11B1 P28845 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KLK7 P49862 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
EPHX1 P07099 1/20 0.34
GFER P55789 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL8540193 1.00 CTSK (0.37) CTSKCTSBCTSSEPHX2DPP8
SCHEMBL8574927 0.90 CTSK (0.46) CTSKCTSBCTSSLMNAKDM4E
SCHEMBL8438142 0.89 HSD11B1 (0.41) EPHX2DPP8DPP9HSD11B1LMNA
SCHEMBL8438145 0.89 HSD11B1 (0.41) EPHX2DPP8DPP9HSD11B1LMNA
SCHEMBL8438547 0.89 HSD11B1 (0.41) EPHX2DPP8DPP9HSD11B1LMNA
SCHEMBL9574306 0.88 ALDH1A1 (0.36) EPHX2DPP8DPP9HSD11B1LMNA
SCHEMBL8542239 0.88 EPHX2 (0.35) EPHX2DPP8DPP9MMP2ANPEP
SCHEMBL8541702 0.88 EPHX2 (0.35) EPHX2DPP8DPP9MMP2ANPEP
SCHEMBL9574282 0.85 ALDH1A1 (0.36) EPHX2DPP8DPP9LMNASIGMAR1
SCHEMBL9574544 0.85 ALDH1A1 (0.36) EPHX2DPP8DPP9LMNASIGMAR1

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