Ethyl Acetate

Ethyl Acetate

SCHEMBL28822002

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

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
HSD17B10 Q99714 2/20 0.54
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 2/20 0.43
GAA P10253 3/20 0.41
MGAM O43451 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
SOAT1 P35610 1/20 0.37
TSHR P16473 2/20 0.36
TRPA1 O75762 1/20 0.34
GLO1 Q04760 1/20 0.34
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL967731 0.85 MGAM (0.55) ALDH1A1HSD17B10TDP1GAAMGAM
SCHEMBL11718323 0.82 GAA (0.65) ALDH1A1HSD17B10LMNATDP1GAA
Ethyl Acetate SCHEMBL4641708 0.81 ALDH1A1 (0.67) ALDH1A1HSD17B10LMNAGAAMGAM
Ethyl Acetate SCHEMBL19252753 0.79 GAA (0.68) ALDH1A1HSD17B10LMNAGAAMGAM
Ethyl Acetate SCHEMBL17293793 0.79 ALDH1A1 (0.78) ALDH1A1HSD17B10LMNATDP1GAA
Formaldehyde SCHEMBL28376088 0.77 GAA (0.64) ALDH1A1HSD17B10LMNAGAAMGAM
SCHEMBL19337334 0.77 GLO1 (0.42) ALDH1A1HSD17B10LMNATDP1GAA
SCHEMBL623935 0.77 MGAM (0.41) ALDH1A1HSD17B10LMNATDP1GAA
SCHEMBL3802994 0.77 GAA (0.70) ALDH1A1HSD17B10LMNATDP1GAA
SCHEMBL21519879 0.77 GAA (0.70) ALDH1A1HSD17B10LMNATDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103980108-B Preparation method of 2- (1-methyl alkyl) succinic acid EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-09-23 CN claimed
CN-103980108-B Preparation method of 2- (1-methyl alkyl) succinic acid EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-09-23 CN disclosed