Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL11906396

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

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.47
HCAR2 Q8TDS4 7/20 0.42
ALDH1A1 P00352 6/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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 SCHEMBL10944368 0.96 TSHR (0.44) TSHRHCAR2ALDH1A1HSD17B10HPGD
SCHEMBL9161907 0.86 TSHR (0.42) TSHRHCAR2TP53
Acrylic Acid Methyl Ester SCHEMBL4640900 0.86 HCAR2 (0.54) TSHRHCAR2ALDH1A1HSD17B10HPGD
Acrylic Acid Methyl Ester SCHEMBL8380741 0.85 HCAR2 (0.49) TSHRHCAR2ALDH1A1HSD17B10HPGD
SCHEMBL2778233 0.83 TSHR (0.58) TSHRHCAR2ALDH1A1HSD17B10HPGD
SCHEMBL5859055 0.83 TSHR (0.58) TSHRHCAR2ALDH1A1HSD17B10HPGD
SCHEMBL11513248 0.82 TSHR (0.49) TSHRHCAR2ALDH1A1HSD17B10HPGD
Monomethyl Fumarate SCHEMBL28099233 0.81 TSHR (0.63) TSHRHCAR2ALDH1A1HSD17B10HPGD
Acrylic Acid Ethyl Ester SCHEMBL3421934 0.80 TSHR (0.54) TSHRHCAR2ALDH1A1HSD17B10HPGD
Acrylic Acid Methyl Ester SCHEMBL8910788 0.80 HCAR2 (0.40) TSHRHCAR2ALDH1A1HPGDCYP3A4

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
US-20120205030-A1 SPONTANEOUSLY ROLLING ADHESIVE SHEET AND METHOD OF MANUFACTURING CUT PIECE NITTO DENKO CORPORATION (JP) 2012-08-16 US disclosed