Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL11129181

CC(=O)OCCC(C)C.COC(C)=O

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 6/20 0.46
PKM P14618 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41

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
SCHEMBL901254 0.93 ALOX15 (0.53) ALOX15ALDH1A1PKMHSD17B10MAPK1
SCHEMBL27086 0.93
SCHEMBL28341214 0.91 ALOX15 (0.52) ALOX15ALDH1A1PKMHSD17B10MAPK1
SCHEMBL28563022 0.91 ALOX15 (0.52) ALOX15ALDH1A1PKMHSD17B10MAPK1
SCHEMBL27515083 0.91 ALOX15 (0.52) ALOX15ALDH1A1PKMHSD17B10MAPK1
Methane SCHEMBL766234 0.91 ALOX15 (0.52) ALOX15ALDH1A1PKMHSD17B10MAPK1
Methyl Alcohol SCHEMBL6663691 0.91 ALOX15 (0.52) ALOX15ALDH1A1PKMHSD17B10MAPK1
Acetone SCHEMBL7637226 0.91 ALOX15 (0.52) ALOX15ALDH1A1PKMHSD17B10MAPK1
SCHEMBL31411095 0.91 ALOX15 (0.52) ALOX15ALDH1A1PKMHSD17B10MAPK1
Butanedione SCHEMBL2218929 0.88 ALOX15 (0.50) ALOX15ALDH1A1PKMHSD17B10MAPK1

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
JP-58082241-A None JP disclosed
JP-S5882241-A POSITIVE TYPE RADIATION SENSITIVE MATERIAL SANYO ELECTRIC CO LTD 1983-05-17 JP disclosed
JP-S05882241-A 0001-01-01 JP disclosed