Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL27425849

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

nearest known ligand 0.60

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.60
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 4/20 0.39
ATM Q13315 2/20 0.39
HCAR2 Q8TDS4 2/20 0.36
ALDH1A1 P00352 5/20 0.36
CA2 P00918 1/20 0.36
RECQL P46063 1/20 0.34
LMNA P02545 3/20 0.34
MAPK1 P28482 2/20 0.34
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5059316 0.94 TSHR (0.69) TSHRHPGDTDP1CYP3A4ATM
Methacrylic Acid SCHEMBL8956686 0.92 TSHR (0.71) TSHRHPGDTDP1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL690098 0.92 TSHR (0.71) TSHRHPGDTDP1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL15281939 0.91 TSHR (0.62) TSHRHPGDTDP1CYP3A4ATM
SCHEMBL2708767 0.90 TSHR (0.67) TSHRHPGDTDP1CYP3A4ATM
Methacrylic Acid SCHEMBL1085038 0.90 TSHR (0.74) TSHRHPGDTDP1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL1546928 0.89 TSHR (0.63) TSHRHPGDTDP1CYP3A4ATM
SCHEMBL14776339 0.89 TSHR (0.63) TSHRHPGDTDP1CYP3A4ATM
SCHEMBL1931959 0.89 TSHR (0.76) TSHRHPGDTDP1CYP3A4ATM
SCHEMBL29141898 0.89 TSHR (0.76) TSHRHPGDTDP1CYP3A4ATM

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
CN-1129033-C Information-recording material KONISHIROKU PHOTO IND (JP) 2003-11-26 CN disclosed
CN-1176404-A Information-recording material KONISHIROKU PHOTO IND (JP) 1998-03-18 CN disclosed