Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL586049

CC1CCCC(C)(C)C1.COC(C)=O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 1/20 0.33
EP300 Q09472 1/20 0.33
HIF1A Q16665 1/20 0.33
CREBBP Q92793 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DPP4 P27487 1/20 0.31
SCN9A Q15858 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30

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
Bicarbonate SCHEMBL10706379 0.84 CYP1A2 (0.53) CYP1A2HIF1A
Urea SCHEMBL1838154 0.82 CYP1A2 (0.47) CYP1A2ALDH1A1KDM4ETDP1
Hydrogen Peroxide SCHEMBL27513983 0.82 CYP1A2 (0.48) CYP1A2ALDH1A1KDM4ETDP1
SCHEMBL56901 0.82
SCHEMBL21088951 0.82
SCHEMBL4819466 0.82
SCHEMBL17634027 0.82
Methacrylic Acid SCHEMBL1393373 0.80 CYP1A2 (0.46) CYP1A2EP300HIF1ACREBBP
Methylamine SCHEMBL28038298 0.80 CYP1A2 (0.41) CYP1A2
SCHEMBL10454219 0.80 CYP1A2 (0.41) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
US-20060166857-A1 4,8-Dimethyl-7-nonen-2-one and 4,8-dimethylnonan-2-one used as perfumes SYMRISE GMBH & CO. KG (DE) 2006-07-27 US claimed
US-10006151-B2 Polyurethane fiber TORAY OPELONTEX CO., LTD. (JP) 2018-06-26 US disclosed
EP-2947185-B1 POLYURETHANE FIBER AND ITS USE TORAY OPELONTEX CO LTD (JP) 2018-02-28 EP disclosed
US-20160002827-A1 POLYURETHANE FIBER TORAY OPELONTEX CO., LTD. (JP) 2016-01-07 US disclosed
EP-2947185-A1 POLYURETHANE FIBER Toray Opelontex Co., Ltd (JP) 2015-11-25 EP disclosed
EP-2020225-B1 Fragrance composition KAO CORP (JP) 2014-10-08 EP disclosed
EP-2020225-A2 Fragrance composition Kao Corporation (JP) 2009-02-04 EP disclosed
US-20060166857-A1 4,8-Dimethyl-7-nonen-2-one and 4,8-dimethylnonan-2-one used as perfumes SYMRISE GMBH & CO. KG (DE) 2006-07-27 US disclosed
US-20050245407-A1 Fragrance composition KAO CORPORATION (JP) 2005-11-03 US disclosed
EP-1552814-A1 FRAGRANCE COMPOSITION Kao Corporation (JP) 2005-07-13 EP disclosed