SCHEMBL4456595

SCHEMBL4456595

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.40
DNM1 Q05193 1/20 0.38
TSHR P16473 3/20 0.34
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
CYP1A2 P05177 1/20 0.32
MGLL Q99685 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTR2C P28335 1/20 0.30
PAM P19021 2/20 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
SCHEMBL4455816 0.91 DGKA (0.39) DGKADNM1TSHRADRA2AADRA1A
SCHEMBL29028337 0.85 ADRA2A (0.46) DGKADNM1TSHRADRA2AADRA1A
SCHEMBL4467504 0.83 DGKA (0.42) DGKADNM1ADRA2AADRA1AMAPT
SCHEMBL4191729 0.81 TSHR (0.44) TSHRADRA2AADRA1AHSD17B10
SCHEMBL13978973 0.81 DGKA (0.50) DGKADNM1TSHRADRA2AADRA1A
SCHEMBL5159381 0.79 DGKA (0.48) DGKADNM1TSHRADRA2AADRA1A
SCHEMBL26616753 0.79 DGKA (0.44) DGKADNM1ADRA2AADRA1AMAPT
SCHEMBL3093520 0.78 DGKA (0.54) DGKADNM1TSHRADRA2AADRA1A
SCHEMBL31104907 0.78 ADRA2A (0.41) DGKATSHRADRA2AADRA1AMAPT
SCHEMBL9420770 0.77 DGKA (0.50) DGKADNM1TSHRADRA2AADRA1A

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 12 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-1680469-A1 SILICA-FILLED ELASTOMERIC COMPOUNDS Lanxess Inc. (CA) 2006-07-19 EP disclosed
WO-2005040272-A1 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC. (CA) 2005-05-06 WO disclosed