Ethyl Acetate

Ethyl Acetate

SCHEMBL28503452

CC(=O)c1ccc([N+](=O)[O-])cc1.CCOC(C)=O

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.71
MAOB P27338 1/20 0.58
MAPT P10636 3/20 0.56
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
CES1 P23141 1/20 0.50
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GSK3B P49841 1/20 0.47

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
4-Nitrobenzoic Acid SCHEMBL21644729 0.89 TDP1 (0.66) MAPK1MAPTLMNASMN1; SMN2MEN1
Ethyl Acetate SCHEMBL27606833 0.85 ALOX5 (0.61) MAPK1MAPTLMNAALDH1A1KDM4E
SCHEMBL27765 0.84 MAPK1 (1.00) MAPK1MAOBMAPTLMNASMN1; SMN2
Ethyl Acetate SCHEMBL27930046 0.84 SMN1; SMN2 (0.50) MAPK1MAPTLMNASMN1; SMN2KMT2A
Nitrobenzene SCHEMBL9326043 0.83 ALDH1A1 (0.55) MAPK1MAPTLMNASMN1; SMN2MEN1
Methyl Alcohol SCHEMBL28098714 0.82 MAPK1 (0.96) MAPK1MAOBMAPTLMNASMN1; SMN2
Bromide SCHEMBL8031021 0.82 MAPK1 (0.96) MAPK1MAOBMAPTLMNASMN1; SMN2
Ammonia Solution, Strong SCHEMBL17180526 0.82 MAPK1 (0.96) MAPK1MAOBMAPTLMNASMN1; SMN2
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL1500579 0.81 KCNJ1 (0.68) MAPK1MAPTLMNAMEN1KMT2A
Ethyl Acetate SCHEMBL27911725 0.81 LMNA (0.48) MAPK1MAOBMAPTLMNASMN1; SMN2

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-112014338-A Paraoxonase-1 activity detection kit and application thereof 武汉生之源生物科技股份有限公司 2020-12-01 CN disclosed