SCHEMBL4630439

SCHEMBL4630439

C=CCC=C(COC(=O)C(=CCC)CO)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34

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
SCHEMBL4630443 0.84 GRIK1 (0.42) GRIK1GRIK2
SCHEMBL4630433 0.77 TSHR (0.33)
SCHEMBL4613225 0.75 ABAT (0.32)
SCHEMBL29112163 0.71 GRIK1 (0.33) GRIK1GRIK2
SCHEMBL1903029 0.71
SCHEMBL4466707 0.71
SCHEMBL7679064 0.69 ALDH1A1 (0.37) GRIK1GRIK2
SCHEMBL2522759 0.69 ALDH1A1 (0.37) GRIK1GRIK2
SCHEMBL25189235 0.68 ALDH1A1 (0.31)
SCHEMBL541951 0.67 CYP3A4 (0.32)

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-1404661-B1 PROCESS FOR THE PRODUCTION OF 5-BENZYL-3-FURFURYL ALCOHOL ENDURA SPA (IT) 2008-04-09 EP claimed