Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL19664264

C=CC(=O)OCC.CN(C)C.CS(=O)(=O)O

nearest known ligand 0.46

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Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of Acrylic Acid Ethyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 known ✓ P30556 1/20 0.34
TSHR P16473 7/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 8/20 0.41
TP53 P04637 4/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
MAPT P10636 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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 SCHEMBL8026038 0.94 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL8026034 0.94 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL8026032 0.94 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL28251692 0.94 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL27440288 0.92 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL423013 0.90 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL2379184 0.89 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL2379322 0.88 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL28604855 0.88 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL27793421 0.87 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107107461-B Active energy ray-curable resin composition for three-dimensional molded support 科巨希化学股份公司 2022-03-29 CN disclosed
EP-3254835-B1 PRODUCTION METHOD FOR 3D MODELED OBJECT KJ CHEMICALS CORP (JP) 2021-06-16 EP disclosed
US-10711149-B2 Active energy ray-curable resin composition for three-dimensional model supporting material KJ CHEMICALS CORPORATION (JP) 2020-07-14 US disclosed
US-10286598-B2 Method for manufacturing three-dimensional molded product and three-dimensional molded product using the same KJ CHEMICALS CORPORATION (JP) 2019-05-14 US disclosed
US-20180291219-A1 ACTIVE ENERGY RAY-CURABLE RESIN COMPOSITION FOR THREE-DIMENSIONAL MODEL SUPPORTING MATERIAL KJ CHEMICALS CORPORATION (JP) 2018-10-11 US disclosed
US-20180264716-A1 METHOD FOR MANUFACTURING THREE-DIMENSIONAL MOLDED PRODUCT AND THREE-DIMENSIONAL MOLDED PRODUCT USING THE SAME KJ CHEMICALS CORPORATION (JP) 2018-09-20 US disclosed
EP-3251818-A1 ACTIVE ENERGY RAY-CURABLE RESIN COMPOSITION FOR THREE-DIMENSIONAL MODEL SUPPORTING MATERIAL KJ Chemicals Corporation (JP) 2017-12-06 EP disclosed