SCHEMBL353003

SCHEMBL353003

C=C(COCC(=C)C(=O)OC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
EGLN1 Q9GZT9 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TET2 Q6N021 5/20 0.33
TET3 O43151 1/20 0.31
TET1 Q8NFU7 1/20 0.31
TGFBR1 P36897 1/20 0.31
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRM1 Q13255 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL353002 0.91 ALDH1A1 (0.48) ALDH1A1EGLN1HSD17B10TET2TGFBR1
SCHEMBL351637 0.83 TET2 (0.40) ALOX15HSD17B10TET2TET3TET1
SCHEMBL351841 0.80 ALDH1A1 (0.42) ALDH1A1EGLN1HSD17B10TET2
SCHEMBL9502844 0.79 ALDH1A1 (0.46) ALDH1A1EGLN1ALOX15HSD17B10TET2
SCHEMBL19322766 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9350161 0.79 ALDH1A1 (0.42) ALDH1A1EGLN1ALOX15HSD17B10
SCHEMBL824134 0.78 ALDH1A1 (0.41) ALDH1A1EGLN1TET2
SCHEMBL8996545 0.78 TSHR (0.33) TET2TET3TET1GRIK1GRIK2
SCHEMBL15136484 0.77 TET2 (0.35) ALOX15HSD17B10TET2TET3TET1
SCHEMBL3689082 0.77 ALDH1A1 (0.39) ALDH1A1

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
US-8796492-B2 α-(unsaturated alkoxyalkyl) acrylate composition and process for production thereof NIPPON SHOKUBAI CO., LTD. (JP) 2014-08-05 US disclosed
US-20120016095-A1 a-(UNSATURATED ALKOXYALKYL) ACRYLATE COMPOSITION AND PROCESS FOR PRODUCTION THEREOF NIPPON SHOKUBAI CO., LTD. (JP) 2012-01-19 US disclosed