Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL598803

CCCC.CCCCOC(C)=O.OCCO

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.82
ATM Q13315 1/20 0.50
TSHR P16473 6/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
NAAA Q02083 1/20 0.43
ACHE P22303 7/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRM3 P20309 1/20 0.41
TBXA2R P21731 1/20 0.41

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 Butyl Ester SCHEMBL117774 0.98 ALDH1A1 (0.86) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Butyl Ester SCHEMBL17797774 0.93 ALDH1A1 (0.78) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Butyl Ester SCHEMBL472065 0.93 ALDH1A1 (0.78) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Butyl Ester SCHEMBL4872777 0.93 ALDH1A1 (0.78) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Butyl Ester SCHEMBL125717 0.93 ALDH1A1 (0.86) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Butyl Ester SCHEMBL8055526 0.93 ALDH1A1 (0.95) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Butyl Ester SCHEMBL446697 0.92 ALDH1A1 (0.69) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Butyl Ester SCHEMBL8014157 0.91 ALDH1A1 (0.82) ALDH1A1ATMTSHRHPGDLMNA
Acetic Acid Pentyl Ester SCHEMBL8810314 0.91 ALDH1A1 (0.74) ALDH1A1TSHRHCAR2NAAAACHE
Acetic Acid Butyl Ester SCHEMBL16007831 0.91 ALDH1A1 (0.82) ALDH1A1ATMTSHRHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115388-B2 Plasma display device HITACHI, LTD. (JP) 2012-02-14 US disclosed
US-20090224668-A1 PLASMA DISPLAY DEVICE MAXELL, LTD. (JP) 2009-09-10 US disclosed