SCHEMBL107872

SCHEMBL107872

C=CC(=O)OCCC[Si](OCC)(OCC)OCC.C=CC(=O)OC[Si](OC)(OC)OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 2/20 0.45
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 2/20 0.36
ATM Q13315 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL4585244 0.93 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL107213 0.91 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL109047 0.91 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL3916955 0.90 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL93561 0.90 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL221477 0.89 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4TP53
Hydrogen Peroxide SCHEMBL28128571 0.88 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL2220386 0.88 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL18040479 0.87 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1024880 0.86 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059121-A1 Elastomer Compositions Modified By Silanes DOW CORNING EUROPE SA (BE) 2012-03-08 US claimed
EP-2424740-A1 ELASTOMER COMPOSITIONS MODIFIED BY SILANES Dow Corning Corporation (US) 2012-03-07 EP claimed
WO-2010125123-A1 ELASTOMER COMPOSITIONS MODIFIED BY SILANES DOW CORNING CORPORATION (US) 2010-11-04 WO claimed