SCHEMBL8899017

SCHEMBL8899017

C=CC(=O)OCCC[Si](CCCOC(=O)C=C)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.59
TSHR P16473 5/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.44
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AKR1B10 O60218 3/20 0.35
AKR1B1 P15121 3/20 0.35
TGM2 P21980 2/20 0.35
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1063223 0.92 THRB (0.54) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL231329 0.88 THRB (0.59) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL230344 0.86 THRB (0.56) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL8899006 0.86 THRB (0.56) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL230731 0.86 THRB (0.56) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL3356443 0.83 THRB (0.54) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL2168203 0.83 THRB (0.54) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL3358609 0.83 THRB (0.54) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL1066197 0.83 THRB (0.56) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL8899643 0.83 HCAR2 (0.39) THRBALDH1A1TDP1L3MBTL1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5700874-A CONJUGATED DIENE/VINYLAROMATIC HYDROCARBON COPOLYMER MODIFIED WITH ALKOXYSILANE BRIDGESTONE CORPORATION (JP) 1997-12-23 US disclosed