SCHEMBL8537657

SCHEMBL8537657

CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N1C[C@@H](S)C[C@H]1C(=O)N1CC[C@H](NC=NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 2/20 0.32
MMP2 P08253 1/20 0.32
ANPEP P15144 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL8540397 0.91 SIGMAR1 (0.35) DPP8DPP9SIGMAR1ALDH1A1ATM
SCHEMBL8537814 0.91 SIGMAR1 (0.35) DPP8DPP9SIGMAR1ALDH1A1ATM
SCHEMBL8436014 0.89 HSD11B1 (0.40) DPP8DPP9SIGMAR1EPHX2ALDH1A1
SCHEMBL8540640 0.89 EPHX2 (0.35) DPP8DPP9SIGMAR1EPHX2ALDH1A1
SCHEMBL8542381 0.89 SIGMAR1 (0.35) DPP8DPP9SIGMAR1EPHX2ALDH1A1
SCHEMBL8540858 0.87 EPHX2 (0.38) DPP8DPP9SIGMAR1EPHX2ALDH1A1
SCHEMBL8539867 0.86 SIGMAR1 (0.35) DPP8DPP9SIGMAR1EPHX2ALDH1A1
SCHEMBL8438780 0.86 ALDH1A1 (0.34) DPP8DPP9SIGMAR1EPHX2ALDH1A1
SCHEMBL8437058 0.85 NPBWR1 (0.38) DPP8DPP9ALDH1A1MAPTATM
SCHEMBL8440273 0.84 RECQL (0.36) ALDH1A1MAPTATMHPGDKMT2A

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