Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL28313629

COC(=O)C=Cc1ccc(OC)cc1.COC(C)=O

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.67
F3 P13726 2/20 0.66
HDAC3 O15379 2/20 0.65
HDAC1 Q13547 2/20 0.65
HDAC2 Q92769 2/20 0.65
HDAC8 Q9BY41 2/20 0.65
HDAC6 Q9UBN7 2/20 0.65
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
TYR P14679 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
CA14 Q9ULX7 1/20 0.64
THRB P10828 1/20 0.64
ATM Q13315 1/20 0.64
MAPT P10636 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
HDAC4 P56524 1/20 0.59

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
SCHEMBL30105639 0.95 GSK3B (0.73) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL1397478 0.95 GSK3B (0.73) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL1237222 0.95 GSK3B (0.73) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL8267192 0.90 HDAC8 (0.73) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL6578188 0.86 F3 (0.66) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL1100397 0.86 CA12 (0.64) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL18338902 0.86 F3 (0.66) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL10389523 0.86 CA12 (0.64) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL71224 0.85 CA12 (0.84) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL5057418 0.85 CA12 (0.84) GSK3BF3HDAC3HDAC1HDAC2

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-110143878-A A kind of preparation method of methyl p-methoxy cinnamate 上海万华科聚化工科技发展有限公司 2019-08-20 CN disclosed