Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL11051268

C=C(C#N)CC.C=CC(=O)OC

nearest known ligand 0.36

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 1/20 0.36
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 2/20 0.31

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 SCHEMBL11879995 0.80 HCAR2 (0.39) TSHRALDH1A1HPGDKEAP1NFE2L2
Acrylic Acid Methyl Ester SCHEMBL6408257 0.80 TDP1 (0.48) TSHRALDH1A1HPGDKEAP1NFE2L2
Acrylic Acid SCHEMBL3834308 0.80 LMNA (0.43) TSHRALDH1A1TP53HSD17B10
SCHEMBL3629361 0.78 TSHR (0.69) TSHRALDH1A1HPGDHCAR2TP53
SCHEMBL28278907 0.78 ALDH1A1 (0.33) TSHRALDH1A1
Acrylic Acid Methyl Ester SCHEMBL27620192 0.78
Acrylic Acid Methyl Ester SCHEMBL27839206 0.78
Acrylic Acid Methyl Ester SCHEMBL18065078 0.77
Acrylic Acid Methyl Ester SCHEMBL8910822 0.77 TSHR (0.48) TSHRALDH1A1HPGDKEAP1NFE2L2
Acrylic Acid Methyl Ester SCHEMBL28158899 0.77 HCAR2 (0.53) TSHRALDH1A1HPGDKEAP1NFE2L2

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-4439201-A Process for retanning leather with acrylic-based oligomers CIBA-GEIGY CORPORATION (US) 1984-03-27 US disclosed