Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL864341

C=CC(=O)OCC.CCCC(N(C)C)S(=O)(=O)O

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL951165 0.79 THRB (0.39) TSHRALDH1A1THRBHDAC3HDAC4
SCHEMBL27994086 0.79 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL8026038 0.79 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL8026034 0.79 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL8026032 0.79 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1573362 0.79 HDAC1 (0.37) TSHRTP53CYP3A4HDAC3HDAC4
Acrylic Acid Ethyl Ester SCHEMBL19664264 0.77 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL27440288 0.77 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL28604855 0.77 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL28251692 0.75 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A

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
US-20120077928-A1 Polymerization using a diallylamine and a compound comprising a macromolecular chain comprising units derived from this amine RHODIA OPERATIONS (FR) 2012-03-29 US disclosed
US-20110130321-A1 HEAT-SENSITIVE EMULSIONS RHODIA OPERATIONS (FR) 2011-06-02 US disclosed
US-20100093929-A1 Polymerization Of Macromolecular Monomers Comprising Diallyamine Structual Units RHODIA OPERATIONS (FR) 2010-04-15 US disclosed