Ethyl Acetate

Ethyl Acetate

SCHEMBL28232168

C=C(C)C(=O)OCCOC(=O)C(=C)C.CCOC(C)=O

nearest known ligand 0.70

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.70
ALDH1A1 P00352 8/20 0.61
LMNA P02545 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TSHR P16473 5/20 0.57
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
GLO1 Q04760 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ALOX15 P16050 1/20 0.36

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
Ethyl Acetate SCHEMBL28104592 0.92 THRB (0.61) THRBALDH1A1LMNAHSD17B10TSHR
SCHEMBL7092835 0.91 THRB (0.76) THRBALDH1A1LMNAHSD17B10TSHR
Ethyl Acetate SCHEMBL28309230 0.91 ALDH1A1 (0.67) THRBALDH1A1LMNAHSD17B10TSHR
Ethyl Acetate SCHEMBL6229800 0.90 THRB (0.58) THRBALDH1A1LMNAHSD17B10TSHR
SCHEMBL3265039 0.89 THRB (0.73) THRBALDH1A1LMNAHSD17B10TSHR
SCHEMBL303014 0.89 THRB (0.65) THRBALDH1A1LMNAHSD17B10TSHR
Ethyl Acetate SCHEMBL28055416 0.88 TSHR (0.70) THRBALDH1A1LMNAHSD17B10TSHR
Ethyl Acetate SCHEMBL28084787 0.87 TSHR (0.58) THRBALDH1A1LMNAHSD17B10TSHR
SCHEMBL28745043 0.86 THRB (0.63) THRBALDH1A1LMNAHSD17B10TSHR
SCHEMBL8501987 0.86 THRB (0.63) THRBALDH1A1LMNAHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108373409-A The preparation method of methacrylic acid and methacrylate 赢创罗姆有限公司 2018-08-07 CN disclosed