SCHEMBL27633832

SCHEMBL27633832

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
TET2 Q6N021 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
TSHR P16473 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
SCHEMBL27595112 0.85 MGAM (0.38) TAS1R3TAS1R1CA1CA2ALDH1A1
SCHEMBL5010349 0.82 ALDH1A1 (0.34) TAS1R3TAS1R1GRIK1GRIK2CA1
SCHEMBL454676 0.82 GRIK1 (0.40) TAS1R3TAS1R1GRIK1GRIK2CA1
SCHEMBL27607758 0.81 ALDH1A1 (0.35) CA1CA2ALDH1A1TET2EGLN1
SCHEMBL1556036 0.80 GRIK1 (0.35) TAS1R3TAS1R1GRIK1GRIK2CA1
SCHEMBL15673159 0.79 EP300 (0.39) TAS1R3TAS1R1GRIK1GRIK2ALDH1A1
SCHEMBL19601525 0.77 CYP2C19 (0.38) TAS1R3TAS1R1GRIK1GRIK2ALDH1A1
SCHEMBL2535313 0.77 CYP2C19 (0.38) TAS1R3TAS1R1GRIK1GRIK2ALDH1A1
SCHEMBL27568373 0.77 GRIK1 (0.36) TAS1R3TAS1R1GRIK1GRIK2ALDH1A1
SCHEMBL18570381 0.76

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
CN-1734296-A Radiation inductive combination used for color screen, color screen and color liquid crystal display element JSR CO LTD (JP) 2006-02-15 CN disclosed