Ethyl Acetate

Ethyl Acetate

SCHEMBL19252753

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

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.68
MGAM O43451 2/20 0.68
SI P14410 2/20 0.68
MGAM2 Q2M2H8 2/20 0.68
ALDH1A1 P00352 7/20 0.64
HSD17B10 Q99714 2/20 0.64
LMNA P02545 2/20 0.64
TSHR P16473 4/20 0.41
TRPA1 O75762 1/20 0.39
ALOX15 P16050 1/20 0.37
SOAT1 P35610 1/20 0.37
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GLO1 Q04760 1/20 0.34
CYP1A2 P05177 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL28002763 0.88 GAA (0.71) GAAMGAMSIMGAM2ALDH1A1
Ethyl Acetate SCHEMBL4641708 0.88 ALDH1A1 (0.67) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL28071997 0.86 GAA (0.68) GAAMGAMSIMGAM2ALDH1A1
Ethyl Acetate SCHEMBL17293793 0.85 ALDH1A1 (0.78) GAAMGAMSIMGAM2ALDH1A1
Ethyl Acetate SCHEMBL6902039 0.84 ALDH1A1 (0.67) GAAMGAMSIMGAM2ALDH1A1
Ethyl Acetate SCHEMBL27880037 0.83 ALDH1A1 (0.74) GAAMGAMSIMGAM2ALDH1A1
Acetic Acid Methyl Ester SCHEMBL28846649 0.83 MGAM (0.88) GAAMGAMSIMGAM2ALDH1A1
Ethyl Acetate SCHEMBL6295337 0.83 ALDH1A1 (0.82) GAAMGAMSIMGAM2ALDH1A1
Ethyl Acetate SCHEMBL498804 0.83 ALDH1A1 (0.82) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1162 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10376931-B2 Gel for removing graffiti and method for removing graffiti using said gel COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-08-13 US disclosed
US-20170239694-A1 GEL FOR REMOVING GRAFFITI AND METHOD FOR REMOVING GRAFFITI USING SAID GEL COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-24 US disclosed
CN-103159676-B Compounds and application thereof LU ZHONGLIN 2015-07-15 CN disclosed
CN-103159676-A Compounds and application thereof LU ZHONGLIN 2013-06-19 CN disclosed