Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL28100313

COC(C)=O.O=C1CC(c2ccccc2)CN1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.51
PDE4B Q07343 3/20 0.51
PDE4C Q08493 3/20 0.51
PDE4D Q08499 3/20 0.51
TSHR P16473 3/20 0.51
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 3/20 0.48
THRB P10828 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.44
MTNR1A P48039 1/20 0.43

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
SCHEMBL531338 0.85 MAPK1 (0.56) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL3150368 0.85 MAPK1 (0.56) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL3159001 0.85 MAPK1 (0.56) PDE4APDE4BPDE4CPDE4DTSHR
Hydrochloric Acid SCHEMBL29540251 0.84 MAPK1 (0.55) PDE4APDE4BPDE4CPDE4DTSHR
Trifluoroacetic Acid SCHEMBL29921233 0.80 MAPK1 (0.47) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL9409583 0.79 HTT (0.57) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL19780858 0.77 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL11635359 0.77 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DTSHR
Acetic Acid SCHEMBL11635356 0.77 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL1268717 0.74 TSHR (0.69) PDE4APDE4BPDE4CPDE4DTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083685-B A kind of preparation method of phenyl Piracetam 东北制药集团股份有限公司 2019-08-23 CN claimed
CN-106083685-B A kind of preparation method of phenyl Piracetam 东北制药集团股份有限公司 2019-08-23 CN disclosed
CN-106083685-A A kind of preparation method of phenyl piracetam 东北制药集团股份有限公司 2016-11-09 CN disclosed