Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL5329576

C=CC(=O)OC.OC=Cc1ccccc1

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41

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 SCHEMBL28285336 0.97 ALDH1A1 (0.43) ALDH1A1KMT2AGLATDP1CA12
Styrene SCHEMBL28207810 0.95 ALDH1A1 (0.44) ALDH1A1KMT2AGLATDP1CA12
Acrylic Acid Methyl Ester SCHEMBL27522898 0.86 ALDH1A1 (0.45) ALDH1A1KMT2AGLATDP1CA12
Acrylic Acid Methyl Ester SCHEMBL27395677 0.85 HDAC3 (0.45) ALDH1A1GLATDP1CA12CA1
Styrene SCHEMBL137827 0.84 ALDH1A1 (0.54) ALDH1A1GLATDP1CA12CA1
Styrene SCHEMBL27629074 0.84 ALDH1A1 (0.54) ALDH1A1GLATDP1CA12CA1
Styrene SCHEMBL1713923 0.82 ALDH1A1 (0.52) ALDH1A1GLATDP1CA12CA1
Styrene SCHEMBL10809747 0.82 ALDH1A1 (0.52) ALDH1A1GLATDP1CA12CA1
Styrene SCHEMBL28190743 0.82 ALDH1A1 (0.52) ALDH1A1GLATDP1CA12CA1
Styrene SCHEMBL27745926 0.82 ALDH1A1 (0.52) ALDH1A1GLATDP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007148822-A1 POLYFUNCTIONAL EPOXY COMPOUND, EPOXY RESIN, CATIONIC PHOTOPOLYMERIZABLE EPOXY RESIN COMPOSITION, MICRO STRUCTURED MEMBER, PRODUCING METHOD THEREFOR AND LIQUID DISCHARGE HEAD CANON KABUSHIKI KAISHA (JP) 2007-12-27 WO disclosed
WO-2005089355-A2 ENVIRONMENTALLY FRIENDLY PHOTOACID GENERATORS (PAGS) WITH NO PERFLUOROOCTYL SULFONATES (PFOS) CORNELL RESEARCH FOUNDATION, INC. (US) 2005-09-29 WO disclosed