Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL28005602

CCOCC[N+](CC)(CC)CC.COC(C)=O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.37
CHRM1 P11229 4/20 0.36
CHRM3 P20309 3/20 0.36
CHRM2 P08172 3/20 0.36
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRNB2 P17787 5/20 0.33
CHRNB4 P30926 5/20 0.33
CHRNA3 P32297 5/20 0.33
CHRNA7 P36544 5/20 0.33
CHRNA4 P43681 5/20 0.33
CHRNA10 Q9GZZ6 2/20 0.33
CHRNA9 Q9UGM1 2/20 0.33
CHRM5 P08912 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PGR P06401 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33

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
Acetic Acid Methyl Ester SCHEMBL28005603 0.91 ALDH1A1 (0.42) ALDH1A1TSHRTHRBCHRM1CHRM3
SCHEMBL16352885 0.82 CHRNA7 (0.41) ALDH1A1TSHRCHRM1CHRM3CHRM2
Bicarbonate SCHEMBL29201333 0.82 CHRM2 (0.40) ALDH1A1TSHRTHRBCHRM1CHRM3
Bromide SCHEMBL29201376 0.80 CHRNA7 (0.40) ALDH1A1TSHRCHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL29201318 0.80 KDM4E (0.42) ALDH1A1TSHRTHRBCHRM1CHRM2
Acetic Acid Methyl Ester SCHEMBL904422 0.80 ALDH1A1 (0.68) ALDH1A1TSHRTHRBLMNAHSD17B10
Iodide SCHEMBL29201397 0.80 CHRNA7 (0.43) ALDH1A1TSHRCHRM1CHRM3CHRM2
Propionic Acid SCHEMBL142973 0.80 ALDH1A1 (0.38) ALDH1A1TSHRTHRBCHRM1CHRM3
Methoxyacetic Acid SCHEMBL17418644 0.78 ALDH1A1 (0.33) ALDH1A1TSHRTHRBCHRM1CHRM3
SCHEMBL29201442 0.77 ALDH1A1 (0.39) ALDH1A1TSHRTHRBCHRM1CHRM3

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-104837801-A Onium salt, liquid composition containing onium salt and cellulose, and cellulose recovery method KOEI CHEMICAL CO 2015-08-12 CN disclosed