SCHEMBL6652501

SCHEMBL6652501

[CH2]CCC(CCCCCC)(CCCCCCC)OCC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.36
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
GGPS1 O95749 6/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FDPS P14324 9/20 0.31
CES2 O00748 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31

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
SCHEMBL8846370 0.89 TSHR (0.42) SMPD1TSHRTHRBGGPS1MEN1
SCHEMBL16705983 0.89 TSHR (0.42) SMPD1TSHRTHRBGGPS1MEN1
Bromide SCHEMBL7764541 0.85 SMPD1 (0.39) SMPD1TSHRTHRBGGPS1MEN1
Ether SCHEMBL7496783 0.83 SMPD1 (0.38) SMPD1TSHRTHRBGGPS1MEN1
SCHEMBL2191404 0.79 TSHR (0.33) SMPD1TSHRTHRBFDPS
SCHEMBL11772569 0.78 TSHR (0.32) SMPD1TSHRTHRBGGPS1FDPS
SCHEMBL11761141 0.73 SMPD1 (0.38) SMPD1TSHRTHRBMEN1KMT2A
SCHEMBL27762959 0.73 SMPD1 (0.39) SMPD1TSHRGGPS1MEN1MAPT
SCHEMBL1821820 0.73 TSHR (0.38) SMPD1TSHR
SCHEMBL27731930 0.72 TSHR (0.35) SMPD1TSHRTHRBGGPS1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425781-A1 SILICONE RESINS AND POROUS MATERIALS PRODUCED THEREFROM Dow Corning Corporation (US) 2004-06-09 EP claimed
US-6596834-B2 Silicone resins having the general formula (R1SiO3/2)x(HSiO3/2)y where R1 is an alkyl group having 8 to 24 carbon atoms; x has a value of 0.05 to 0.7; y has a value of 0.3 to 0.95 and x+y =1. The resins are used to form porous DOW CORNING CORPORATION 2003-07-22 US claimed
US-20030088016-A1 Silicone resins and porous materials produced therefrom DOW CORNING CORPORATION 2003-05-08 US claimed
WO-2003023831-A1 SILICONE RESINS AND POROUS MATERIALS PRODUCED THEREFROM DOW CORNING CORPORATION (US) 2003-03-20 WO claimed
EP-1425781-A1 SILICONE RESINS AND POROUS MATERIALS PRODUCED THEREFROM Dow Corning Corporation (US) 2004-06-09 EP disclosed
US-6596834-B2 Silicone resins having the general formula (R1SiO3/2)x(HSiO3/2)y where R1 is an alkyl group having 8 to 24 carbon atoms; x has a value of 0.05 to 0.7; y has a value of 0.3 to 0.95 and x+y =1. The resins are used to form porous DOW CORNING CORPORATION 2003-07-22 US disclosed
US-20030088016-A1 Silicone resins and porous materials produced therefrom DOW CORNING CORPORATION 2003-05-08 US disclosed
WO-2003023831-A1 SILICONE RESINS AND POROUS MATERIALS PRODUCED THEREFROM DOW CORNING CORPORATION (US) 2003-03-20 WO disclosed