SCHEMBL8439607

SCHEMBL8439607

CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N1C[C@@H](S)C[C@H]1C(=O)N1CCCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 3/20 0.39
NPBWR1 P48145 2/20 0.37
MCHR1 Q99705 2/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
MEN1 O00255 2/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL8434757 0.97 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL8437058 0.92 NPBWR1 (0.38) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL8440008 0.91 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL8441151 0.90 MCHR1 (0.35) ALDH1A1MAPTNPBWR1MCHR1DPP8
Trifluoromethanesulfonic Acid SCHEMBL8434762 0.87 CCR5 (0.35) ALDH1A1NPBWR1MCHR1DPP8DPP9
SCHEMBL8440273 0.87 RECQL (0.36) ALDH1A1MAPTKMT2ANPBWR1MCHR1
SCHEMBL8438343 0.85 PDK1 (0.38) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL8540858 0.85 EPHX2 (0.38) ALDH1A1MAPTKMT2ANPBWR1MCHR1
Trifluoromethanesulfonic Acid SCHEMBL8435836 0.84 CCR5 (0.36) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL9728223 0.84 DPP8 (0.46) NPBWR1MCHR1DPP8DPP9

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