Ethyl Acetate

Ethyl Acetate

SCHEMBL3765599

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

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
LMNA P02545 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 4/20 0.37
PPARA Q07869 4/20 0.37
TSHR P16473 3/20 0.35
POLB P06746 1/20 0.34
CYP3A4 P08684 2/20 0.33

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
SCHEMBL25516 0.86
SCHEMBL10304982 0.86
SCHEMBL10305019 0.86
SCHEMBL10347459 0.79 CA2 (0.47) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8209757 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CHRM1AKR1A1
P-Xylene SCHEMBL1146866 0.78 PPARG (0.47) ALDH1A1CHRM1AKR1A1CHRM3HTR2A
Ethyl Acetate SCHEMBL156137 0.77 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10CHRM1AKR1A1
Butyl Alcohol SCHEMBL271874 0.76 CHRM1 (0.45) ALDH1A1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6787830 0.75 SLC1A3 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6789915 0.75 SLC1A3 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C

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
US-20100301595-A1 METHOD FOR THE PRODUCTION OF A POLYCARBONATE LAMINATE BUNDESDRUCKEREI GMBH (DE) 2010-12-02 US disclosed