Ethyl Acetate

Ethyl Acetate

SCHEMBL6064388

CC(Cl)Cl.CCN(CC)CC.CCOC(C)=O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
LMNA P02545 2/20 0.58
HSD17B10 Q99714 1/20 0.58
TSHR P16473 1/20 0.39
TRPA1 O75762 1/20 0.37
GAA P10253 2/20 0.34
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 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
Ethyl Acetate SCHEMBL2385899 0.94 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL6338631 0.92 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL28814573 0.90 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL7266603 0.89 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL6713360 0.89 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL9486136 0.89 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL6717750 0.89 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL58459 0.89 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL1802039 0.89 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL6046507 0.89 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRTRPA1

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-7049073-B2 Double stranded nucleic acid biochips THE UNIVERSITY OF CHICAGO (US) 2006-05-23 US disclosed