Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL598804

CCCCOC(C)=O.CCOCCOCC

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.78
TSHR P16473 6/20 0.75
THRB P10828 1/20 0.48
ATM Q13315 1/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.45
HCAR2 Q8TDS4 1/20 0.42
NAAA Q02083 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CES2 O00748 1/20 0.41
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRM3 P20309 1/20 0.40

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 SCHEMBL9157937 0.98 TSHR (0.79) ALDH1A1TSHRTHRBATMHSD17B10
Acetic Acid Butyl Ester SCHEMBL1357782 0.98 ALDH1A1 (0.75) ALDH1A1TSHRTHRBATMHSD17B10
Acetic Acid Butyl Ester SCHEMBL37244 0.93 ALDH1A1 (0.82) ALDH1A1TSHRTHRBATMHSD17B10
SCHEMBL25319556 0.92 TSHR (0.76) ALDH1A1TSHRTHRBATMHSD17B10
SCHEMBL29179720 0.92 TSHR (0.76) ALDH1A1TSHRTHRBATMHSD17B10
SCHEMBL29101370 0.92 TSHR (0.76) ALDH1A1TSHRTHRBATMHSD17B10
SCHEMBL7594603 0.92 TSHR (0.76) ALDH1A1TSHRTHRBATMHSD17B10
SCHEMBL723875 0.92 TSHR (0.76) ALDH1A1TSHRTHRBATMHSD17B10
SCHEMBL29171212 0.92 TSHR (0.76) ALDH1A1TSHRTHRBATMHSD17B10
Diethylene Glycol Monoethyl Ether SCHEMBL391940 0.91 ALDH1A1 (0.64) ALDH1A1TSHRTHRBATMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104837903-A Process for extracting polyester from an article WORN AGAIN FOOTWEAR AND ACCESSORIES LTD 2015-08-12 CN disclosed
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