Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL28065112

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

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 7/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 7/20 0.45
ALOX15 P16050 1/20 0.43
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 2/20 0.42
HCAR2 Q8TDS4 1/20 0.41
THRB P10828 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
GLO1 Q04760 1/20 0.35

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
Acrylic Acid Ethyl Ester SCHEMBL10961673 0.90 ALDH1A1 (0.48) TDP1TSHRHPGDALDH1A1ALOX15
Acrylic Acid Ethyl Ester SCHEMBL31158272 0.90 TSHR (0.52) TSHRHPGDALDH1A1ALOX15TP53
Acrylic Acid Ethyl Ester SCHEMBL11807126 0.87 TSHR (0.54) TSHRHPGDALDH1A1ALOX15TP53
Acrylic Acid Ethyl Ester SCHEMBL11529707 0.87 TSHR (0.54) TSHRHPGDALDH1A1ALOX15TP53
Acrylic Acid Ethyl Ester SCHEMBL9343615 0.87 TSHR (0.38) TDP1TSHRHPGDALDH1A1ALOX15
Acrylic Acid Ethyl Ester SCHEMBL156717 0.86 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL9069456 0.86 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL9818307 0.86 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL3950156 0.85 TSHR (0.52) TSHRHPGDALDH1A1ALOX15TP53
Acrylic Acid Ethyl Ester SCHEMBL3440788 0.85 TSHR (0.52) TSHRHPGDALDH1A1ALOX15TP53

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-108300340-A Glued construction body and its manufacturing method 国立大学法人大阪大学 2018-07-20 CN disclosed
CN-107922521-A The manufacture method of the aqueous dispersions of Hollow Latex Particles 日本瑞翁株式会社 2018-04-17 CN disclosed
CN-104428330-B Organopolysiloxane graft polymers KAO CORP. (JP) 2016-05-18 CN disclosed