SCHEMBL8986918

SCHEMBL8986918

CC[Si](CC)(CC)OC(CI)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
HTR6 P50406 2/20 0.36
SLC6A4 P31645 2/20 0.35
GAA P10253 1/20 0.35
IDO1 P14902 2/20 0.34
TDO2 P48775 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PDE1B Q01064 1/20 0.33
WDR5 P61964 1/20 0.33
ACP3 P15309 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
SCHEMBL8634074 1.00 AOC3 (0.44) AOC3HTR6SLC6A4GAAIDO1
SCHEMBL4886452 0.85 AOC3 (0.44) AOC3HTR6SLC6A4GAAIDO1
SCHEMBL5009193 0.85 AOC3 (0.48) AOC3HTR6SLC6A4GAAIDO1
SCHEMBL4864455 0.80 CNR1 (0.42) AOC3HTR6GAA
SCHEMBL7983773 0.76 L3MBTL1 (0.42) ACP3
SCHEMBL5195514 0.75 KIF11 (0.41)
SCHEMBL5195520 0.75 KIF11 (0.41)
SCHEMBL8986774 0.74 AOC3 (0.39) AOC3SLC6A4SLC6A2SLC6A3PDE1B
SCHEMBL14587100 0.70 AOC3 (0.64) AOC3HTR6SLC6A4IDO1TDO2
SCHEMBL2240456 0.70 ADRB3 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717746-A1 PHOSPHINIC ACID DERIVATIVES WITH ANTI-HYPER GLYCEMIC AND/OR ANTI-OBESITY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-06-26 EP disclosed
WO-1995007284-A1 PHOSPHINIC ACID DERIVATIVES WITH ANTI-HYPER GLYCEMIC AND/OR ANTI-OBESITY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-03-16 WO disclosed