SCHEMBL3689471

SCHEMBL3689471

CCCC(=O)SC[Si](OCC)(OCC)OCC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
FFAR3 O14843 2/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
TSHR P16473 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
SCHEMBL30205804 0.87 CES2 (0.42) ALDH1A1CES2CES1KDM4ESMN1; SMN2
SCHEMBL30205632 0.87 CES2 (0.42) ALDH1A1CES2CES1KDM4ESMN1; SMN2
SCHEMBL30205657 0.87 CES2 (0.42) ALDH1A1CES2CES1KDM4ESMN1; SMN2
SCHEMBL30206217 0.87 CES2 (0.42) ALDH1A1CES2CES1KDM4ESMN1; SMN2
SCHEMBL12079697 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3686643 0.82 ALDH1A1 (0.34) ALDH1A1CES2CES1KDM4ESMN1; SMN2
SCHEMBL3689569 0.81 ALDH1A1 (0.31) ALDH1A1CES2CES1
SCHEMBL3689226 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL333494 0.77 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL29488608 0.74 ALDH1A1 (0.32) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7847000-B2 Silica-filled elastomeric compounds LANXESS INC. (CA) 2010-12-07 US claimed
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
US-7847000-B2 Silica-filled elastomeric compounds LANXESS INC. (CA) 2010-12-07 US disclosed
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