Ethyl Acetate

Ethyl Acetate

SCHEMBL7043013

CC(=O)OCCO.CCOC(C)=O

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
HSD17B10 Q99714 2/20 0.70
LMNA P02545 1/20 0.70
TSHR P16473 2/20 0.56
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRNB2 P17787 1/20 0.44
TBXA2R P21731 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 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
SCHEMBL27796 0.89
SCHEMBL3070371 0.89 ALDH1A1 (0.55) ALDH1A1HSD17B10LMNATSHRCHRM5
Di(Hydroxyethyl)Ether SCHEMBL566173 0.88 ALDH1A1 (0.67) ALDH1A1HSD17B10LMNATSHRCHRM5
Ether SCHEMBL209065 0.88 ALDH1A1 (0.67) ALDH1A1HSD17B10LMNATSHRCHRM5
SCHEMBL6933115 0.88 ALDH1A1 (0.54) ALDH1A1HSD17B10LMNATSHRCHRM5
Ethylene Glycol SCHEMBL27416430 0.87 ALDH1A1 (0.54) ALDH1A1HSD17B10LMNATSHRCHRM5
Ethyl Acetate SCHEMBL50341 0.87 ALDH1A1 (0.82) ALDH1A1HSD17B10LMNATSHRCHRM5
SCHEMBL25232908 0.87
Water SCHEMBL58538 0.87
SCHEMBL21580547 0.87

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763782-B1 Electrophotographic photoreceptor KONISHIROKU PHOTO IND (JP) 2003-03-26 EP disclosed
EP-0725316-B1 Electrophotographic photoreceptor KONISHIROKU PHOTO IND (JP) 1999-06-30 EP disclosed
US-5846679-A Electrophotographic photoreceptor KONICA CORPORATION (JP) 1998-12-08 US disclosed
US-5800956-A Electrophotographic photoreceptor with specific interlayer KONICA CORPORATION (JP) 1998-09-01 US disclosed
EP-0763782-A1 Electrophotographic photoreceptor KONICA CORPORATION (JP) 1997-03-19 EP disclosed
EP-0725316-A1 Electrophotographic photoreceptor KONICA CORPORATION (JP) 1996-08-07 EP disclosed
US-4801675-A POLYISOCYANURATES BAYER AKTIENGESELLSCHAFT (DE) 1989-01-31 US disclosed
EP-0104283-B1 DISPERSANTS FOR COATING COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-04-29 EP disclosed