SCHEMBL4455816

SCHEMBL4455816

CO[Si](CCCOC(=O)CCCS)(OC)OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.39
DNM1 Q05193 1/20 0.37
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
TSHR P16473 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
HTR2C P28335 1/20 0.33
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
NAAA Q02083 1/20 0.32
CYP1A2 P05177 1/20 0.32
EPHX2 P34913 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL4456595 0.91 DGKA (0.40) DGKADNM1ADRA2AADRA1ATSHR
SCHEMBL5159381 0.89 DGKA (0.48) DGKADNM1ADRA2AADRA1ATSHR
SCHEMBL5164186 0.87 ADRA2A (0.43) DGKADNM1ADRA2AADRA1ATSHR
SCHEMBL4358005 0.84 DGKA (0.53) DGKADNM1TSHRPRSS1PRSS2
SCHEMBL31302270 0.84 TSHR (0.41) DGKATSHRNAAAMEN1KMT2A
SCHEMBL13978973 0.83 DGKA (0.50) DGKADNM1ADRA2AADRA1ATSHR
SCHEMBL4459130 0.83 DGKA (0.41) DGKADNM1ADRA2AADRA1APRSS1
SCHEMBL6271674 0.82 DGKA (0.46) DGKADNM1ADRA2AADRA1APRSS1
SCHEMBL8839460 0.81 DGKA (0.65) DGKADNM1TSHRPRSS1PRSS2
SCHEMBL8839367 0.81 DGKA (0.65) DGKADNM1TSHRPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680469-B1 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC (CA) 2009-01-07 EP claimed
EP-1680469-A4 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC (CA) 2007-09-05 EP claimed
JP-2007509209-A 2007-04-12 JP claimed
US-20060293423-A1 Silica-filled elastomeric compounds LANXESS INC. (CA) 2006-12-28 US claimed
EP-1680469-A1 SILICA-FILLED ELASTOMERIC COMPOUNDS Lanxess Inc. (CA) 2006-07-19 EP claimed
WO-2005040272-A1 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC. (CA) 2005-05-06 WO claimed
EP-1680469-B1 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC (CA) 2009-01-07 EP disclosed
US-20080242771-A1 Butyl Rubber Composition for Tire Treads LANXESS INC. (CA) 2008-10-02 US disclosed
EP-1680469-A4 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC (CA) 2007-09-05 EP disclosed
US-20060293423-A1 Silica-filled elastomeric compounds LANXESS INC. (CA) 2006-12-28 US disclosed
EP-1694764-A1 BUTYL RUBBER COMPOSITION FOR TIRE TREADS Lanxess Inc. (CA) 2006-08-30 EP disclosed
EP-1680469-A1 SILICA-FILLED ELASTOMERIC COMPOUNDS Lanxess Inc. (CA) 2006-07-19 EP disclosed
WO-2005056664-A1 BUTYL RUBBER COMPOSITION FOR TIRE TREADS LANXESS INC. (CA) 2005-06-23 WO disclosed
WO-2005040272-A1 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC. (CA) 2005-05-06 WO disclosed