Ethyl Acetate

Ethyl Acetate

SCHEMBL28822004

C=CCC(C(C)=O)C(=O)O.CCOC(C)=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 3/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 2/20 0.34
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
CPA1 P15085 1/20 0.33
GLO1 Q04760 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ALOX15 P16050 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 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
SCHEMBL31585 0.84 GRIK1 (0.42) ALDH1A1LMNAGRIK1GRIK2MAPT
Acetic Acid SCHEMBL28822001 0.84 MMP8 (0.37) ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL3607061 0.83 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL5879474 0.82 GRIK1 (0.41) ALDH1A1GRIK1GRIK2MAPTSMN1; SMN2
SCHEMBL1682020 0.82 GRIK1 (0.41) ALDH1A1GRIK1GRIK2MAPTSMN1; SMN2
SCHEMBL1564401 0.81 CPA1 (0.40) ALDH1A1LMNAHSD17B10TSHRGRIK1
SCHEMBL13101262 0.78 HCAR2 (0.35) ALDH1A1LMNAHSD17B10TSHRGRIK1
SCHEMBL793641 0.77 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL1973010 0.76 GRIK1 (0.40) ALDH1A1LMNATSHRGRIK1GRIK2
Ethyl Acetate SCHEMBL2263183 0.74 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2

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