SCHEMBL230345

SCHEMBL230345

C=CC(=O)OCCCO[Si](OC)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.52
TSHR P16473 5/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 1/20 0.41
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX5 P09917 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
THRA P10827 1/20 0.32
AKR1B10 O60218 2/20 0.32
AKR1B1 P15121 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL231331 0.92 THRB (0.57) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL1781744 0.85 THRB (0.49) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL1780823 0.82 TDP1 (0.46) THRBTSHRALDH1A1TDP1KDM4E
SCHEMBL5835079 0.82 TSHR (0.57) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL3358609 0.81 THRB (0.54) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL3356443 0.81 THRB (0.54) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL8899006 0.77 THRB (0.56) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL230344 0.77 THRB (0.56) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL230731 0.77 THRB (0.56) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL69211 0.77 THRB (0.84) THRBTSHRHPGDALDH1A1CYP3A4

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-8247590-B2 Method for preventing polymerization of unsaturated organosilicon compounds WACKER CHEMIE AG (DE) 2012-08-21 US disclosed
US-20120004437-A1 METHOD FOR PRODUCING (METH)ACRYLOSILANES WACKER CHEMIE AG (DE) 2012-01-05 US disclosed
US-20110118493-A1 METHOD FOR PREVENTING POLYMERIZATION OF UNSATURATED ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2011-05-19 US disclosed