Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL27610055

CCCCOC(C)=O.Clc1ccccc1

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.62
▸ TSHR P16473 5/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ MAPK1 P28482 3/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.47
▸ LMNA P02545 3/20 0.47
▸ POLB P06746 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ ESR1 P03372 2/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NR1H2 P55055 1/20 0.44
▸ RNASEL Q05823 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
Acetic Acid Propyl Ester SCHEMBL27591820 0.89 LMNA (0.55) ALDH1A1TSHRTDP1L3MBTL1LMNA
Acetic Acid Butyl Ester SCHEMBL28179248 0.87 ALDH1A1 (0.58) ALDH1A1TSHRTDP1L3MBTL1LMNA
Acetic Acid Butyl Ester SCHEMBL27499615 0.86 ALDH1A1 (0.62) ALDH1A1TSHRTDP1L3MBTL1MAPK1
4-Chloro-Benzoic Acid SCHEMBL28121915 0.85 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1TP53LMNA
Acetic Acid Butyl Ester SCHEMBL27934470 0.85 ALDH1A1 (0.86) ALDH1A1TSHRTDP1L3MBTL1MAPK1
Chlorobenzene SCHEMBL28289911 0.85 NAAA (0.55) ALDH1A1TSHRTDP1L3MBTL1MAPK1
Acetic Acid Butyl Ester SCHEMBL8464588 0.84 ALDH1A1 (0.64) ALDH1A1TSHRTDP1L3MBTL1MAPK1
Acetic Acid Butyl Ester SCHEMBL20540736 0.84 ALDH1A1 (0.64) ALDH1A1TSHRTDP1L3MBTL1MAPK1
Acetic Acid Butyl Ester SCHEMBL9577010 0.84 ALDH1A1 (0.64) ALDH1A1TSHRTDP1L3MBTL1MAPK1
Acetic Acid Butyl Ester SCHEMBL27483284 0.84 ALDH1A1 (0.64) ALDH1A1TSHRTDP1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104919013-B Varnish for printing ink and printing ink composition using the same 东洋油墨SC控股株式会社 2017-03-15 — — CN disclosed
CN-101386658-B Process for producing copolymer SUMITOMO CHEMICAL CO 2012-01-11 — — CN disclosed
CN-101386658-A Process for producing copolymer SUMITOMO CHEMICAL CO (JP) 2009-03-18 — — CN disclosed
CN-100404565-C Process for producing copolymer SUMITOMO CHEMICAL CO (JP) 2008-07-23 — — CN disclosed
CN-1576288-A Process for producing copolymer SUMITOMO CHEMICAL CO (JP) 2005-02-09 — — CN disclosed
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