Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL7595649

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

nearest known ligand 0.44

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
HCAR2 Q8TDS4 2/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TSHR P16473 7/20 0.34
HPGD P15428 1/20 0.33
ALDH1A1 P00352 5/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TET2 Q6N021 1/20 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 SCHEMBL28083209 0.85 ALDH1A1 (0.37) HSD17B10ALOX15HCAR2KEAP1NFE2L2
SCHEMBL28862679 0.83 ALOX15 (0.37) HSD17B10ALOX15
Itaconate SCHEMBL27781638 0.82 HSD17B10 (0.67) HSD17B10ALOX15HCAR2KEAP1NFE2L2
Acrylic Acid Methyl Ester SCHEMBL27571924 0.82 HSD17B10 (0.45) HSD17B10ALOX15HCAR2KEAP1NFE2L2
Itaconate SCHEMBL6367963 0.82 HSD17B10 (0.67) HSD17B10ALOX15HCAR2KEAP1NFE2L2
Acrylic Acid Methyl Ester SCHEMBL10544130 0.82 HSD17B10 (0.45) HSD17B10ALOX15HCAR2KEAP1NFE2L2
Acrylic Acid Methyl Ester SCHEMBL7518321 0.82 HCAR2 (0.39) HSD17B10ALOX15HCAR2KEAP1NFE2L2
Acrylic Acid SCHEMBL28862680 0.81 ALOX15 (0.50) HSD17B10ALOX15ALDH1A1LMNA
SCHEMBL83312 0.81
SCHEMBL6018777 0.81 ALOX15 (0.48) HSD17B10ALOX15TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254652-A1 Poly(vinyl acetamide) adhesive for skin cleaning tape National Starch and Chemical Investment Holding Corporation (US) 2002-11-06 EP disclosed
US-6228487-B1 REMOVAL KERATOTIC PLUGS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2001-05-08 US disclosed
US-6207176-B1 STARCH ON BACKING NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2001-03-27 US disclosed