Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL9615786

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

nearest known ligand 0.72

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
NAAA Q02083 1/20 0.59
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 5/20 0.47
ATM Q13315 1/20 0.45
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.40
TRPA1 O75762 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
DGKA P23743 1/20 0.39
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 1/20 0.39
SOAT1 P35610 1/20 0.38

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 SCHEMBL10956523 0.98 ALDH1A1 (0.69) ALDH1A1NAAALMNAHSD17B10TSHR
Ethyl Acetate SCHEMBL27698088 0.92 ALDH1A1 (0.65) ALDH1A1NAAALMNAHSD17B10TSHR
Acetic Acid Butyl Ester SCHEMBL21815463 0.92 ALDH1A1 (0.78) ALDH1A1NAAALMNAHSD17B10TSHR
Ethyl Propionate SCHEMBL14717180 0.90 NAAA (0.72) ALDH1A1NAAATSHRATMMGAM
Acetic Acid Butyl Ester SCHEMBL9081007 0.88 NAAA (0.77) ALDH1A1NAAATSHRATMHPGD
Acetic Acid Butyl Ester SCHEMBL28048454 0.88 ALDH1A1 (0.72) ALDH1A1NAAATSHRATMGAA
Acetic Acid Pentyl Ester SCHEMBL21828458 0.88 NAAA (0.77) ALDH1A1NAAATSHRATMHPGD
Acetic Acid Butyl Ester SCHEMBL301515 0.87 ALDH1A1 (0.86) ALDH1A1NAAALMNAHSD17B10TSHR
Acetic Acid Butyl Ester SCHEMBL19712585 0.87 ALDH1A1 (0.86) ALDH1A1NAAALMNAHSD17B10TSHR
Acetic Acid Butyl Ester SCHEMBL4160553 0.87 ALDH1A1 (0.86) ALDH1A1NAAALMNAHSD17B10TSHR

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
EP-0277589-B1 COLOR PHOTOGRAPHS, A PROCESS FOR PREPARING THEM AND COLOR PHOTOGRAPHIC MATERIALS EMPLOYED THEREFOR FUJI PHOTO FILM CO., LTD. (JP) 1992-05-27 EP disclosed
US-5098805-A Nondiscoloring photographic films FUJI PHOTO FILM CO., LTD. (JP) 1992-03-24 US disclosed