Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL28278802

C1=C(OC2=CCCC2)CCC1.C=CC(=O)OC

nearest known ligand 0.37

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.35
HDAC4 P56524 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
TGM2 P21980 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 SCHEMBL3402428 0.82 LMNA (0.40) GSTP1HDAC4HDAC2HDAC8HDAC6
SCHEMBL29404200 0.80 THRB (0.35) GSTP1HDAC4HDAC2HDAC8HDAC6
SCHEMBL1399627 0.80 THRB (0.35) GSTP1HDAC4HDAC2HDAC8HDAC6
SCHEMBL27822941 0.80 TSHR (0.47) GSTP1HDAC2HDAC1HCAR2
SCHEMBL4830433 0.78 TSHR (0.58) GSTP1
Acrylic Acid SCHEMBL22613519 0.77 LMNA (0.39) GSTP1HDAC4HDAC2HDAC8HDAC6
Methyl Alcohol SCHEMBL3278729 0.76 THRB (0.39) GSTP1HDAC4HDAC2HDAC8HDAC6
SCHEMBL2162875 0.75 THRB (0.38) GSTP1HDAC4HDAC2HDAC8HDAC6
Acrylamide SCHEMBL20379538 0.75 ALDH1A1 (0.37) GSTP1HDAC4HDAC2HDAC8HDAC6
Acrylic Acid Methyl Ester SCHEMBL6944453 0.75 THRB (0.32) KEAP1NFE2L2HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109310890-A Composition containing latex particle and UV absorbent 罗门哈斯公司 2019-02-05 CN disclosed