Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL28085683

CCc1cccc(OCc2ccccc2)c1.COC(C)=O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.62
NR4A2 P43354 1/20 0.57
SMPD1 P17405 1/20 0.56
BCHE P06276 2/20 0.55
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
FFAR1 O14842 2/20 0.53
PTPN1 P18031 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
CYP2D6 P10635 1/20 0.53
PTGES O14684 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
LTB4R Q15722 1/20 0.52
LTB4R2 Q9NPC1 1/20 0.52
EPOR P19235 1/20 0.52

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
SCHEMBL29925214 0.87 MAOB (0.68) MAOBNR4A2BCHECYP4F2CYP4A11
SCHEMBL91188 0.87 MAOB (0.68) MAOBNR4A2BCHECYP4F2CYP4A11
Formaldehyde SCHEMBL27752554 0.86 MAOB (0.62) MAOBNR4A2BCHECYP4F2CYP4A11
Methylamine SCHEMBL9454395 0.84 MAOB (0.64) MAOBNR4A2BCHECYP4F2CYP4A11
SCHEMBL13462818 0.84 SMN1; SMN2 (0.62) MAOBNR4A2SMPD1MEN1KMT2A
SCHEMBL28794034 0.82 ALDH1A1 (0.69) MAOBNR4A2SMPD1BCHECYP4F2
SCHEMBL13462941 0.82 MEN1 (0.61) MAOBKDM4EALDH1A1MEN1KMT2A
SCHEMBL1122805 0.81 MRGPRX4 (0.71) MAOBNR4A2SMPD1FFAR1PTPN1
SCHEMBL2848161 0.81 MAOB (0.60) MAOBNR4A2SMPD1BCHECYP4F2
SCHEMBL976424 0.81 MAOB (0.73) MAOBNR4A2SMPD1PTPN1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105849111-A Pyranochromenyl phenol derivative, and pharmaceutical composition for treating metabolic syndrome or inflammatory disease 依如睦生物科技株式会社 2016-08-10 CN disclosed