SCHEMBL8996545

SCHEMBL8996545

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
TET2 Q6N021 4/20 0.32
TET3 O43151 1/20 0.32
TET1 Q8NFU7 1/20 0.32
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
XPO1 O14980 2/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRM1 Q13255 1/20 0.31
GRM2 Q14416 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1520934 0.92 TSHR (0.39) TSHRADRA1APDE4DXPO1HCAR2
SCHEMBL25388235 0.85 TSHR (0.38) TSHRADRA1APDE4DXPO1
SCHEMBL351637 0.78 TET2 (0.40) TSHRTET2TET3TET1GRIK1
SCHEMBL19837896 0.78 TDP1 (0.42) TSHRADRA1APDE4DXPO1
SCHEMBL353003 0.78 ALDH1A1 (0.41) TET2TET3TET1GRIK1GRIK2
Itaconate SCHEMBL28350443 0.77 ALOX15 (0.48) TSHRTET2TET3TET1ADRA1A
SCHEMBL1520604 0.74 TSHR (0.31) TSHR
SCHEMBL9349637 0.74 EPHX1 (0.37)
SCHEMBL481426 0.74 ALOX15 (0.39) TSHRADRA1APDE4DXPO1HCAR2
SCHEMBL18294831 0.74 TSHR (0.42) TSHRTET2TET3TET1GRIK1

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
EP-0548764-B1 Oxadimethacrylic compounds and process for their preparation BASF AG (DE) 1996-08-28 EP disclosed
EP-0548764-A1 Oxadimethacrylic compounds and process for their preparation BASF Aktiengesellschaft (DE) 1993-06-30 EP disclosed