Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL1591870

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

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 3/20 0.42
CYP2D6 P10635 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 7/20 0.38
HPGD P15428 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
GLO1 Q04760 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
GAA P10253 2/20 0.33
CYP3A4 P08684 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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 SCHEMBL3623327 0.86 NPSR1 (0.41) ALDH1A1MAPTCYP2D6SMN1; SMN2NPSR1
Acrylic Acid SCHEMBL3980196 0.85 ALDH1A1 (0.47) ALDH1A1MAPTCYP2D6SMN1; SMN2NPSR1
Methacrylic Acid SCHEMBL8982563 0.85 THRB (0.43) ALDH1A1MAPTCYP2D6SMN1; SMN2NPSR1
Acrylic Acid Methyl Ester SCHEMBL28327703 0.83 ALDH1A1 (0.39) ALDH1A1TSHRHPGDHCAR2TP53
SCHEMBL150289 0.83 ALDH1A1 (0.55) ALDH1A1MAPTCYP2D6SMN1; SMN2NPSR1
Acrylic Acid Methyl Ester SCHEMBL28315075 0.83 HCAR2 (0.40) ALDH1A1MAPTCYP2D6SMN1; SMN2NPSR1
Acrylic Acid Methyl Ester SCHEMBL2118077 0.82 THRB (0.47) ALDH1A1MAPTCYP2D6SMN1; SMN2NPSR1
Acrylic Acid Methyl Ester SCHEMBL28173466 0.82 THRB (0.47) ALDH1A1MAPTCYP2D6SMN1; SMN2NPSR1
Methacrylic Acid SCHEMBL10754862 0.82 ALDH1A1 (0.47) ALDH1A1MAPTCYP2D6SMN1; SMN2NPSR1
SCHEMBL28242248 0.81 ALDH1A1 (0.53) ALDH1A1MAPTCYP2D6SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299191-B2 Shape memory polymers and process for preparing GEORGIA TECH RESEARCH CORP. (US) 2012-10-30 US disclosed
EP-2491082-A1 SHAPE MEMORY POLYMERS AND PROCESS FOR PREPARING Georgia Tech Research Corporation (US) 2012-08-29 EP disclosed
WO-2011049879-A1 SHAPE MEMORY POLYMERS AND PROCESS FOR PREPARING GEORGIA TECH RESEARCH CORPORATION (US) 2011-04-28 WO disclosed
US-20110092652-A1 SHAPE MEMORY POLYMERS AND PROCESS FOR PREPARING GEORGIA TECH RESEARCH CORPORATION 2011-04-21 US disclosed