Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL7003780

C=CC(=O)OCC.CCOC(=O)CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.45

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.45
KEAP1 Q14145 5/20 0.44
NFE2L2 Q16236 3/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
BMP1 P13497 5/20 0.40
CAMK2A Q9UQM7 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CAMK2G Q13555 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7005000 0.93 KEAP1 (0.50) TAS2R14KEAP1NFE2L2KMT2AMEN1
SCHEMBL7003735 0.77 BMP1 (0.61) KEAP1NFE2L2BMP1
Acrylic Acid Ethyl Ester SCHEMBL7145276 0.77 BMP1 (0.61) TAS2R14BMP1ALDH1A1
SCHEMBL6999742 0.76 BMP1 (0.65) KEAP1NFE2L2KMT2AMEN1CYP3A4
SCHEMBL9843107 0.74 SMN1; SMN2 (0.49) KEAP1NFE2L2KMT2AALDH1A1MAPK1
SCHEMBL7004788 0.73 BMP1 (0.66) TAS2R14KMT2ABMP1ALDH1A1MAPK1
SCHEMBL7001435 0.72 BMP1 (0.67) TAS2R14BMP1ALDH1A1
SCHEMBL7003241 0.72 KEAP1 (0.61) KEAP1NFE2L2CYP3A4MAPTCYP2C9
SCHEMBL7004444 0.71 BMP1 (0.71) KEAP1NFE2L2CYP3A4MAPTCYP2C9
SCHEMBL7112761 0.69 BMP1 (0.72) TAS2R14KMT2AMAPTBMP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154992-A4 N-SUBSTITUTED ARYLSULFONYLAMINO HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF C-PROTEINASE AND FOR TREATING OR PREVENTING DISORDERS RELATED TO UNREGULATED COLLAGEN PRODUCTION FIBROGEN INC (US) 2003-05-28 EP disclosed
EP-1154992-A1 N-SUBSTITUTED ARYLSULFONYLAMINO HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF C-PROTEINASE AND FOR TREATING OR PREVENTING DISORDERS RELATED TO UNREGULATED COLLAGEN PRODUCTION FIBROGEN, INC. (US) 2001-11-21 EP disclosed
WO-2000050390-A1 N-SUBSTITUTED ARYLSULFONYLAMINO HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF C-PROTEINASE AND FOR TREATING OR PREVENTING DISORDERS RELATED TO UNREGULATED COLLAGEN PRODUCTION FIBROGEN, INC. (US) 2000-08-31 WO disclosed