SCHEMBL783600

SCHEMBL783600

COC(OC)(OC)OC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
LMNA P02545 2/20 0.52
F2 P00734 1/20 0.52
TDP1 Q9NUW8 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
CES1 P23141 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SLC6A3 Q01959 2/20 0.44
SRC P12931 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL28706308 0.87 LMNA (0.61) TSHRLMNAF2TDP1ALDH1A1
SCHEMBL784820 0.82 TSHR (0.57) TSHRLMNAF2TDP1ALDH1A1
SCHEMBL22924627 0.82 TSHR (0.57) TSHRLMNAF2TDP1ALDH1A1
SCHEMBL784759 0.79 CYP2D6 (0.51) TSHRLMNAF2TDP1ALDH1A1
SCHEMBL784070 0.79 TSHR (0.53) TSHRLMNAF2TDP1ALDH1A1
SCHEMBL260960 0.78 TDP1 (0.64) TSHRLMNAF2TDP1ALDH1A1
Hydrogen Peroxide SCHEMBL28425777 0.78 TDP1 (0.64) TSHRLMNAF2TDP1ALDH1A1
SCHEMBL1786261 0.78 TSHR (0.59) TSHRLMNAF2TDP1ALDH1A1
Hydrogen Peroxide SCHEMBL28474133 0.78 TDP1 (0.64) TSHRLMNAF2TDP1ALDH1A1
SCHEMBL1953844 0.78 TSHR (0.59) TSHRLMNAF2TDP1ALDH1A1

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-20120070730-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-03-22 US disclosed