Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL9719491

C=CC(=O)O.C=CC(=O)OC.C=CC(=O)OCC(CC)CCCC

nearest known ligand 0.81

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.81
CYP3A4 P08684 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
HPGD P15428 1/20 0.45
ALDH1A1 P00352 5/20 0.45
CA2 P00918 3/20 0.45
RECQL P46063 1/20 0.43
LMNA P02545 3/20 0.41
CA1 P00915 1/20 0.41
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
HCAR2 Q8TDS4 1/20 0.36

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 SCHEMBL3214910 0.96 TSHR (0.88) TSHRCYP3A4TDP1ATMHPGD
Acrylic Acid Methyl Ester SCHEMBL5718144 0.95 TSHR (0.72) TSHRCYP3A4TDP1ATMHPGD
Acrylic Acid SCHEMBL2282780 0.94 TSHR (0.91) TSHRCYP3A4TDP1ATMHPGD
Acrylic Acid Ethyl Ester SCHEMBL18424749 0.92 TSHR (0.81) TSHRCYP3A4TDP1ATMHPGD
SCHEMBL16765797 0.90 TSHR (1.00) TSHRCYP3A4TDP1ATMHPGD
SCHEMBL14869 0.90 TSHR (1.00) TSHRCYP3A4TDP1ATMHPGD
SCHEMBL20609794 0.90 TSHR (1.00) TSHRCYP3A4TDP1ATMHPGD
SCHEMBL29596375 0.90 TSHR (1.00) TSHRCYP3A4TDP1ATMHPGD
Acrylic Acid SCHEMBL3844152 0.89 TSHR (0.81) TSHRCYP3A4TDP1ATMHPGD
Acrylic Acid SCHEMBL7263337 0.89 TSHR (0.81) TSHRCYP3A4TDP1ATMHPGD

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-5120360-A Microcapsule-containing ink composition for flexographic printing KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1992-06-09 US disclosed