SCHEMBL4467504

SCHEMBL4467504

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.42
DNM1 Q05193 1/20 0.39
CYP1A2 P05177 1/20 0.38
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
MGLL Q99685 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
PTGS2 P35354 1/20 0.32
PDE4D Q08499 1/20 0.32
HTR2C P28335 1/20 0.32
PAM P19021 2/20 0.32
MAPT P10636 2/20 0.32
BLM P54132 1/20 0.32
EPHX2 P34913 5/20 0.32
ALDH1A1 P00352 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
SCHEMBL4459130 0.92 DGKA (0.41) DGKADNM1CYP1A2ADRA2AADRA1A
SCHEMBL28289681 0.86 ADRA2A (0.43) DGKADNM1CYP1A2ADRA2AADRA1A
SCHEMBL12080684 0.83 DGKA (0.38) DGKADNM1CYP1A2ADRA2AADRA1A
SCHEMBL4456595 0.83 DGKA (0.40) DGKADNM1CYP1A2ADRA2AADRA1A
SCHEMBL28929637 0.82 TSHR (0.37) DGKAALDH1A1GAA
SCHEMBL176417 0.79 DGKA (0.42) DGKADNM1CYP1A2ADRA2AADRA1A
SCHEMBL1615508 0.78 DGKA (0.45) DGKADNM1CYP1A2PRSS1PRSS2
SCHEMBL15356546 0.78 NAAA (0.45) DGKADNM1CYP1A2ADRA2AADRA1A
SCHEMBL8839165 0.78 DGKA (0.52) DGKADNM1CYP1A2MGLLPRSS1
SCHEMBL29165577 0.78 DGKA (0.52) DGKADNM1CYP1A2MGLLPRSS1

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