Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL5166727

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

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
HCAR2 Q8TDS4 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 6/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 2/20 0.31
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 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 SCHEMBL27914030 0.86 TSHR (0.38) TSHRHPGDHCAR2KEAP1NFE2L2
Acrylic Acid SCHEMBL6686326 0.84 LMNA (0.48) TSHRHPGDHSD17B10ALOX15LMNA
Acrylic Acid SCHEMBL2152793 0.84 LMNA (0.48) TSHRHPGDHSD17B10ALOX15LMNA
Acrylic Acid Ethyl Ester SCHEMBL11847163 0.84 TSHR (0.43) TSHRHPGDHSD17B10HCAR2LMNA
Acrylic Acid Methyl Ester SCHEMBL27193050 0.83 TSHR (0.43) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL6920652 0.81 TSHR (0.41) TSHRHPGDHSD17B10ALDH1A1TP53
SCHEMBL3429278 0.80 ALDH1A1 (0.43) TSHRHSD17B10ALOX15LMNAALDH1A1
Acrylic Acid Methyl Ester SCHEMBL1245380 0.80 HCAR2 (0.39) TSHRHPGDHSD17B10ALOX15HCAR2
Butadiene SCHEMBL8409931 0.80 GRIK1 (0.35) TSHRHSD17B10ALOX15LMNAALDH1A1
Acrylic Acid Methyl Ester SCHEMBL22749612 0.80 LMNA (0.48) TSHRHPGDHSD17B10ALOX15HCAR2

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
WO-2007007062-A2 CARTILAGE REPAIR IMPLANT DEPUY INTERNATIONAL LIMITED (GB) 2007-01-18 WO disclosed