Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL28757271

C=C.C=C.C=C.C=CC(=O)OC.OCC(O)CO

nearest known ligand 0.41

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.41
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
HCAR2 Q8TDS4 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.34
THRB P10828 2/20 0.30
KDM4E B2RXH2 1/20 0.30
DUSP3 P51452 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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 Methyl Ester SCHEMBL21632661 0.98 TSHR (0.42) TSHRALDH1A1LMNAHCAR2KEAP1
Acrylic Acid Methyl Ester SCHEMBL28688531 0.96 TSHR (0.41) TSHRALDH1A1LMNAHCAR2KEAP1
Acrylic Acid Methyl Ester SCHEMBL27495664 0.94 TSHR (0.39) TSHRALDH1A1LMNAHCAR2KEAP1
Acrylic Acid Methyl Ester SCHEMBL28242715 0.92 HCAR2 (0.39) TSHRALDH1A1LMNAHCAR2KEAP1
Malonic Acid SCHEMBL27487394 0.90 TSHR (0.37) TSHRALDH1A1LMNAHCAR2KEAP1
Succinic Acid SCHEMBL27486697 0.89 TSHR (0.36) TSHRALDH1A1LMNAHCAR2KEAP1
Acrylic Acid Methyl Ester SCHEMBL27800815 0.88 TSHR (0.45) TSHRALDH1A1HCAR2KEAP1NFE2L2
Methacrylic Acid SCHEMBL28181069 0.87 TGFBR1 (0.36) TSHRALDH1A1LMNAHCAR2KEAP1
Acrylic Acid Methyl Ester SCHEMBL27834790 0.87 TSHR (0.43) TSHRALDH1A1LMNAHCAR2KEAP1
Acrylic Acid Methyl Ester SCHEMBL28317779 0.86 TSHR (0.41) TSHRALDH1A1LMNAHCAR2KEAP1

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
CN-100475921-C Ultraviolet cured offset printing ink CHINA BANKNOTE PRINTING & MINT (CN) 2009-04-08 CN disclosed
CN-1800275-A Ultraviolet cured offset printing ink CHINA BANKNOTE PRINTING & MINT (CN) 2006-07-12 CN disclosed