Ethyl Acetate

Ethyl Acetate

SCHEMBL8398014

CCCCCCc1ccccn1.CCOC(C)=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.49
KCNH2 Q12809 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HIF1A Q16665 1/20 0.43
NAAA Q02083 2/20 0.43
MAPT P10636 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
TLR2 O60603 1/20 0.42

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
Acetic Acid SCHEMBL29172203 0.87 CYP1A2 (0.56) HRH1KCNH2CYP1A2CYP2C19SMN1; SMN2
Acetic Acid SCHEMBL28323439 0.87 CYP1A2 (0.56) HRH1KCNH2CYP1A2CYP2C19SMN1; SMN2
Acetic Acid SCHEMBL28694095 0.87 CYP1A2 (0.56) HRH1KCNH2CYP1A2CYP2C19SMN1; SMN2
Oxalic Acid SCHEMBL28323443 0.84 CYP1A2 (0.56) HRH1KCNH2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL25380743 0.83 HRH1 (0.67) HRH1KCNH2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL9108224 0.83 HRH1 (0.67) HRH1KCNH2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL9572197 0.83 HRH1 (0.67) HRH1KCNH2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL180805 0.83 HRH1 (0.67) HRH1KCNH2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL21511268 0.83 HRH1 (0.67) HRH1KCNH2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL919951 0.83 HRH1 (0.67) HRH1KCNH2CYP1A2CYP2C19SMN1; 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
US-5902879-A Methoxyoxalamido and succinimido precursors for nucleophilic addition to nucleosides, nucleotides and oligonucleotides FIDELITY SYSTEMS, INC. (US) 1999-05-11 US disclosed