Ethyl Acetate

Ethyl Acetate

SCHEMBL27610053

Brc1ccccc1Br.CCOC(C)=O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ LMNA P02545 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ TSHR P16473 1/20 0.50
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PIN1 Q13526 2/20 0.46
▸ F2R P25116 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ S1PR4 O95977 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
Ethyl Acetate SCHEMBL30203103 0.87 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10TSHRMEN1
Bromobenzene SCHEMBL27771837 0.86 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10TSHRMEN1
Ethyl Acetate SCHEMBL27934098 0.84 ALDH1A1 (0.51) ALDH1A1LMNAHSD17B10TSHRKMT2A
Acetic Acid Propyl Ester SCHEMBL27591959 0.84 ALDH1A1 (0.53) ALDH1A1LMNATSHRMAPK1SMN1; SMN2
Ethyl Acetate SCHEMBL28193249 0.83 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TSHRNPSR1
Naphthalene SCHEMBL27267438 0.83 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRMEN1
Ethyl Acetate SCHEMBL27610052 0.83 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRMEN1
O-Xylene SCHEMBL3225611 0.83 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1996289 0.81 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL4248351 0.81 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1

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-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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