SCHEMBL8440441

SCHEMBL8440441

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
EPHX2 P34913 1/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL8436695 1.00 HSD11B1 (0.35) HSD11B1SIGMAR1EPHX2DPP8DPP9
SCHEMBL8437765 0.95 DPP8 (0.37) DPP8DPP9ALDH1A1
SCHEMBL8580347 0.93 ALDH1A1 (0.35) DPP8DPP9ALDH1A1MAPTTDP1
SCHEMBL8440242 0.89 ALDH1A1 (0.37) SIGMAR1EPHX2DPP8DPP9ALDH1A1
SCHEMBL8436720 0.89 HSD11B1 (0.45) HSD11B1SIGMAR1EPHX2DPP8DPP9
SCHEMBL8441215 0.89 HSD11B1 (0.45) HSD11B1SIGMAR1EPHX2DPP8DPP9
SCHEMBL8436718 0.89 HSD11B1 (0.45) HSD11B1SIGMAR1EPHX2DPP8DPP9
SCHEMBL22406792 0.89 HSD11B1 (0.45) HSD11B1SIGMAR1EPHX2DPP8DPP9
SCHEMBL28804781 0.89 HSD11B1 (0.45) HSD11B1SIGMAR1EPHX2DPP8DPP9
SCHEMBL28804784 0.89 HSD11B1 (0.45) HSD11B1SIGMAR1EPHX2DPP8DPP9

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