Ethyl Acetate

Ethyl Acetate

SCHEMBL29186604

CCCCCCCCCCCC(O)CCCCCCCC.CCOC(C)=O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.56
FFAR4 Q5NUL3 1/20 0.56
ALDH1A1 P00352 4/20 0.54
LMNA P02545 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GPR84 Q9NQS5 8/20 0.53
NFKB1 P19838 1/20 0.50
FAAH O00519 3/20 0.46
ZDHHC7 Q9NXF8 1/20 0.46
USP2 O75604 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44

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 SCHEMBL1665608 0.91 LMNA (0.50) FFAR1FFAR4ALDH1A1LMNAHSD17B10
Ethyl Acetate SCHEMBL3229510 0.90 LMNA (0.49) FFAR1FFAR4ALDH1A1LMNAHSD17B10
SCHEMBL1171375 0.87 ALDH1A1 (0.55) FFAR1FFAR4ALDH1A1GPR84NFKB1
SCHEMBL27843189 0.87 ALDH1A1 (0.61) FFAR1FFAR4ALDH1A1GPR84NFKB1
Heptane SCHEMBL1238732 0.86 LMNA (0.61) FFAR1ALDH1A1LMNAHSD17B10GPR84
Heptane SCHEMBL15345911 0.85 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMAPT
Heptane SCHEMBL1190938 0.85 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMAPT
Heptane SCHEMBL1614041 0.85 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMAPT
Hexadecane SCHEMBL3291441 0.85 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMAPT
Heptane SCHEMBL276236 0.85 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMAPT

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-117797062-A Oil pearl essence with acne removing effect and preparation method thereof 广州市瑞芬化妆品有限公司 2024-04-02 CN disclosed