SCHEMBL3934006

SCHEMBL3934006

C=C(CCCC(OC)OC)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 4/20 0.33
TET3 O43151 1/20 0.33
TET1 Q8NFU7 1/20 0.33
TBXAS1 P24557 2/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
GRM1 Q13255 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL481261 0.88 TET2 (0.35) TET2TET3TET1GRIK1GRIK2
SCHEMBL5859478 0.82 ALDH1A1 (0.37)
SCHEMBL388923 0.82 TET2 (0.32) TET2TET3TET1TBXAS1GRIK1
SCHEMBL11764487 0.82 TDP1 (0.31)
SCHEMBL7171781 0.81 EPHX1 (0.33) TET2TET3TET1TBXAS1GRIK1
SCHEMBL17709708 0.79 ENPP2 (0.32) TET2TET3TET1TBXAS1
SCHEMBL5665178 0.79 MAPK1 (0.37)
SCHEMBL2068783 0.79 TSHR (0.48)
SCHEMBL5665112 0.78 MAPK1 (0.36)
SCHEMBL9632912 0.77 TBXAS1 (0.34) TET2TET3TET1TBXAS1GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680546-B1 TEMPORARY WET STRENGTH ADDITIVES PROCTER & GAMBLE (US) 2009-04-08 EP claimed