Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL28401233

C=CC(=O)OCC.CC(C)NC(C)C

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.53
HPGD P15428 1/20 0.47
ALDH1A1 P00352 8/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HCAR2 Q8TDS4 1/20 0.41
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 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
Acrylic Acid Ethyl Ester SCHEMBL3180 0.85
Acrylic Acid Ethyl Ester SCHEMBL8159679 0.85 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL9557413 0.85 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28870389 0.85 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL9637467 0.83 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL21049704 0.83 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL584917 0.83 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL28085458 0.83 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL23607549 0.83
Acrylic Acid Ethyl Ester SCHEMBL2243109 0.83

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-107973874-B High-adhesion conductive self-healing hydrogel and preparation method and application thereof 北京大学 2020-06-02 CN claimed
CN-107973874-B High-adhesion conductive self-healing hydrogel and preparation method and application thereof 北京大学 2020-06-02 CN disclosed