Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL28113166

C=CC(=O)OC.[CH2]CCC

nearest known ligand 0.48

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.48
HPGD P15428 1/20 0.48
HCAR2 Q8TDS4 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
THRB P10828 4/20 0.40
ALDH1A1 P00352 7/20 0.39
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRA P10827 1/20 0.33
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32

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 SCHEMBL28124265 0.90 TSHR (0.52) TSHRHPGDHCAR2KEAP1NFE2L2
Acrylic Acid Methyl Ester SCHEMBL8910822 0.87 TSHR (0.48) TSHRHPGDHCAR2KEAP1NFE2L2
Acrylic Acid Methyl Ester SCHEMBL18065078 0.87
Acrylic Acid Methyl Ester SCHEMBL28075312 0.87
Acrylic Acid Methyl Ester SCHEMBL28067227 0.86 TSHR (0.48) TSHRHPGDHCAR2KEAP1NFE2L2
Acrylic Acid Methyl Ester SCHEMBL28152760 0.86 TSHR (0.59) TSHRHPGDHCAR2KEAP1NFE2L2
Acrylic Acid Methyl Ester SCHEMBL27260151 0.86 TSHR (0.59) TSHRHPGDHCAR2KEAP1NFE2L2
Acrylic Acid Methyl Ester SCHEMBL28943755 0.86 TSHR (0.48) TSHRHPGDHCAR2KEAP1NFE2L2
Acrylic Acid Methyl Ester SCHEMBL6060989 0.85
Acrylic Acid Methyl Ester SCHEMBL28112669 0.85

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
CN-106232093-A The method that suppression copper deposits on hair 宝洁公司 2016-12-14 CN disclosed
CN-106232095-A Method for inhibiting copper deposition on hair 宝洁公司 2016-12-14 CN disclosed
CN-106232094-A Method for inhibiting copper deposition on hair 宝洁公司 2016-12-14 CN disclosed
CN-106232096-A Comprise the shampoo Compositions of gel-type vehicle and histidine 宝洁公司 2016-12-14 CN disclosed