SCHEMBL3391753

SCHEMBL3391753

CC(C)(C#CC(C)(C)OC(=O)c1ccccc1)OC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.44
TSHR P16473 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ELANE P08246 1/20 0.41
LMNA P02545 2/20 0.40
F2 P00734 1/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.39
MAPK1 P28482 2/20 0.38
HIF1A Q16665 1/20 0.38
KMT2A Q03164 3/20 0.36
SLC6A3 Q01959 2/20 0.35
HTR1A P08908 1/20 0.35
SCN1A P35498 1/20 0.35
SCN5A Q14524 1/20 0.35

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
SCHEMBL3420521 0.94 TDP1 (0.41) TDP1TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL1784412 0.88 TDP1 (0.53) TDP1TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL25880194 0.83 TDP1 (0.49) TDP1TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL16113951 0.82 TDP1 (0.51) TDP1TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL16044138 0.79 TDP1 (0.45) TDP1TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL6276918 0.78 TDP1 (0.46) TDP1TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL27630836 0.76 TDP1 (0.52) TDP1TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL28703455 0.76 TDP1 (0.41) TDP1TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL20502674 0.75 TDP1 (0.50) TDP1TSHRALDH1A1HSD17B10CYP2D6
Benzoyl Peroxide SCHEMBL27682603 0.75 TDP1 (0.65) TDP1TSHRALDH1A1HSD17B10CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1729365-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME UBE INDUSTRIES (JP) 2010-12-22 EP disclosed
US-20080241704-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD (JP) 2008-10-02 US disclosed
EP-1729365-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2006-12-06 EP disclosed