SCHEMBL28152256

SCHEMBL28152256

C=CC(=O)OCCC.[CH2]CC[SiH](OC)OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 3/20 0.41
HCAR2 Q8TDS4 3/20 0.40
ATM Q13315 1/20 0.34
ALOX5 P09917 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APP P05067 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
SCHEMBL108693 0.83 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18528934 0.83 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27507903 0.81 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14982 0.80
SCHEMBL30074662 0.80 TSHR (0.75) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL139742 0.80 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28039296 0.79 TSHR (0.67) TSHRHPGDALDH1A1TP53HIF1A
Hydrogen Sulfide SCHEMBL12537994 0.78
Ethylene SCHEMBL7197435 0.78 TSHR (0.72) TSHRHPGDALDH1A1TP53HIF1A
Ammonia Solution, Strong SCHEMBL22686891 0.78

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
CN-105102575-B In-situ method for forming heat conduction hot radical curing silicone compositions 道康宁公司 2017-06-20 CN disclosed