SCHEMBL2558293

SCHEMBL2558293

C=C(CCC(CCOCC)OC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.32
TSHR P16473 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
SCHEMBL17709706 0.83 CHRM1 (0.34) ALDH1A1
SCHEMBL698916 0.81 TET2 (0.32)
SCHEMBL43126 0.77 THRB (0.45) THRBALDH1A1TSHR
SCHEMBL79927 0.73 THRB (0.47) THRBALDH1A1TSHR
SCHEMBL289084 0.73 THRB (0.47) THRBALDH1A1TSHR
SCHEMBL33745 0.73 THRB (0.42) THRBALDH1A1TSHR
SCHEMBL14151468 0.73 TET2 (0.31)
SCHEMBL522916 0.72 EPHX2 (0.42) THRBALDH1A1TSHR
SCHEMBL17709708 0.71 ENPP2 (0.32)
SCHEMBL9632367 0.71 CHRM1 (0.33)

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-1586605-B1 POLYMER AND CURABLE COMPOSITIONS IMPROVED IN STORAGE STABILITY KANEKA CORP (JP) 2011-11-02 EP disclosed