SCHEMBL4459130

SCHEMBL4459130

CCO[Si](CCCOC(=O)CCCS)(OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.41
DNM1 Q05193 1/20 0.38
CYP1A2 P05177 1/20 0.37
HTR2C P28335 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
EPHX2 P34913 9/20 0.33
NAAA Q02083 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL12080684 0.92 DGKA (0.38) DGKADNM1CYP1A2HTR2CPRSS1
SCHEMBL4467504 0.92 DGKA (0.42) DGKADNM1CYP1A2HTR2CPRSS1
SCHEMBL176417 0.88 DGKA (0.42) DGKADNM1CYP1A2HTR2CPRSS1
SCHEMBL8839165 0.87 DGKA (0.52) DGKADNM1CYP1A2HTR2CPRSS1
SCHEMBL28694624 0.85 NAAA (0.36) DGKAHTR2CNAAA
SCHEMBL6267406 0.85 DGKA (0.44) DGKADNM1CYP1A2HTR2CPRSS1
SCHEMBL8839190 0.84 DGKA (0.62) DGKADNM1HTR2CPRSS1PRSS2
SCHEMBL8839110 0.84 DGKA (0.62) DGKADNM1HTR2CPRSS1PRSS2
SCHEMBL8839282 0.84 DGKA (0.62) DGKADNM1HTR2CPRSS1PRSS2
SCHEMBL4455816 0.83 DGKA (0.39) DGKADNM1CYP1A2HTR2CPRSS1

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