SCHEMBL8435272

SCHEMBL8435272

CC1CN(C(=O)OCc2ccc([N+](=O)[O-])cc2)CCN1C(=O)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL8441805 1.00 PDK1 (0.42) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL8537713 1.00 PDK1 (0.42) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL8543375 1.00 PDK1 (0.42) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL8588093 0.94 PDK1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL8435956 0.94 PDK1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL8435953 0.94 PDK1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL8438343 0.90 PDK1 (0.38) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL8537550 0.89 MEN1 (0.42) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL8537549 0.89 MEN1 (0.42) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL8436766 0.89 MEN1 (0.42) ALDH1A1MAPTLMNAKMT2AMEN1

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