SCHEMBL8899006

SCHEMBL8899006

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.56
TSHR P16473 5/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
RECQL P46063 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
THRA P10827 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 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
SCHEMBL230731 0.89 THRB (0.56) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL230344 0.89 THRB (0.56) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL8899017 0.86 THRB (0.59) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL231329 0.86 THRB (0.59) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL3358609 0.84 THRB (0.54) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL2168203 0.84 THRB (0.54) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL3356443 0.84 THRB (0.54) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL1063223 0.84 THRB (0.54) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL1065436 0.83 THRB (0.59) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL8899918 0.81 TDP1 (0.49) THRBTSHRALDH1A1L3MBTL1TDP1

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