SCHEMBL8900975

SCHEMBL8900975

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.61
HPGD P15428 1/20 0.61
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 2/20 0.52
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 1/20 0.43
ATM Q13315 1/20 0.42
THRB P10828 4/20 0.41
HCAR2 Q8TDS4 4/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL8901311 0.92 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL8899031 0.89 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL16537974 0.88 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL3440898 0.87 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1065455 0.87 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL949700 0.85 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL946740 0.85 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL16537743 0.83 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL16536936 0.83 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL16536835 0.83 TSHR (0.59) 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 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