Ethyl Acetate

Ethyl Acetate

SCHEMBL28096604

CC1(C)CCCCC1CCCO.CCOC(C)=O

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
UGT2B7 P16662 4/20 0.35
ARG1 P05089 3/20 0.31
ARG2 P78540 2/20 0.31
MAPT P10636 2/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL580451 0.83 UGT2B7 (0.44) UGT2B7
SCHEMBL6715578 0.73 UGT2B7 (0.40) ALDH1A1HSD17B10UGT2B7
Ethyl Acetate SCHEMBL4415607 0.69 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10MAPT
Ethyl Acetate SCHEMBL2295897 0.69 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
Ethyl Acetate SCHEMBL1954428 0.69 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
SCHEMBL28268170 0.69 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10
Ethyl Acetate SCHEMBL10871917 0.68 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
SCHEMBL9770773 0.68 UGT2B7 (0.33) UGT2B7
Cyclohexane SCHEMBL10507033 0.68 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
Ethyl Acetate SCHEMBL3810832 0.68 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10MAPT

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-105899651-A Benefit agent containing delivery particle based on styrene maleic anhydride copolymer 宝洁公司 2016-08-24 CN disclosed