Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL7217324

C=CC(=O)OCC.CCC(N)CC

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
HPGD P15428 1/20 0.47
ALDH1A1 P00352 7/20 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 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 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 SCHEMBL7763483 0.89 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL9637467 0.88 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL202495 0.85
Acrylic Acid Ethyl Ester SCHEMBL5831496 0.85 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL8159679 0.85 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL3180 0.85
Acrylic Acid Ethyl Ester SCHEMBL9557413 0.85 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8736809 0.84 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL31146792 0.83 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL31612430 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656507-B2 Mixture of polymethacrylate and carboxymethyl cellulose ROEHM GMBH & CO. KG (DE) 2003-12-02 US claimed
US-20010055619-A1 AQUEOUS DISPERSION SUITABLE FOR THE PRODUCTION OF COATINGS AND BINDERS FOR SOLID ORAL DRUGS ROHM GMBH (DE) 2001-12-27 US claimed
CN-112888430-A Use of reboxetine for the treatment of narcolepsy 艾克萨姆治疗公司 2021-06-01 CN disclosed
US-6656507-B2 Mixture of polymethacrylate and carboxymethyl cellulose ROEHM GMBH & CO. KG (DE) 2003-12-02 US disclosed
US-20010055619-A1 AQUEOUS DISPERSION SUITABLE FOR THE PRODUCTION OF COATINGS AND BINDERS FOR SOLID ORAL DRUGS ROHM GMBH (DE) 2001-12-27 US disclosed