SCHEMBL9633202

SCHEMBL9633202

CC(C)=Cc1ccc(/C=C/CC(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 10/20 0.35
GRIK2 Q13002 10/20 0.35
HTR2A P28223 3/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
GRIK3 Q13003 1/20 0.33

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
SCHEMBL9633212 1.00 GRIK1 (0.35) GRIK1GRIK2HTR2AGRIN2DGRIN3B
SCHEMBL9634101 0.95 GRIK1 (0.37) GRIK1GRIK2HTR2AGRIN2DGRIN3B
SCHEMBL9634107 0.95 GRIK1 (0.37) GRIK1GRIK2HTR2AGRIN2DGRIN3B
SCHEMBL9632859 0.83
SCHEMBL9632864 0.83
SCHEMBL9633235 0.77 GRIK1 (0.52) GRIK1GRIK2HTR2A
SCHEMBL9632094 0.77 GRIK1 (0.52) GRIK1GRIK2HTR2A
SCHEMBL9632086 0.77 GRIK1 (0.52) GRIK1GRIK2HTR2A
SCHEMBL9633047 0.77 FDPS (0.42)
SCHEMBL9633024 0.76 GRIK1 (0.46) GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513761-A2 Bisphosphonate squalene synthetase inhibitors E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP claimed
US-5157027-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-10-20 US claimed
EP-0513761-A2 Bisphosphonate squalene synthetase inhibitors E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP disclosed
US-5157027-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-10-20 US disclosed