SCHEMBL8901313

SCHEMBL8901313

C=CC(=O)OCCCC(C)(CCCO[SiH3])CCCOC(=O)C=C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 2/20 0.53
HPGD P15428 1/20 0.53
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.35
HCAR2 Q8TDS4 3/20 0.32

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
SCHEMBL8900980 0.95 TSHR (0.52) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8899035 0.89 TSHR (0.52) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28624268 0.84 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL336350 0.84 TSHR (0.75) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8899370 0.83 ATM (0.43) TSHRALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL10286925 0.83 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4393993 0.82 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29035619 0.82 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29035560 0.82 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL81413 0.81 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53

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