SCHEMBL15438327

SCHEMBL15438327

C#CCOC(=O)CP(=O)(CCC)CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 3/20 0.38
GSTP1 P09211 1/20 0.37
NPC1 O15118 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
THPO P40225 1/20 0.32
ACHE P22303 1/20 0.31
LMNA P02545 1/20 0.31
PMP22 Q01453 1/20 0.31
CA12 O43570 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
SCHEMBL15439125 0.90 L3MBTL1 (0.44) L3MBTL1TSHRGSTP1NPC1ZDHHC20
SCHEMBL15438503 0.87 GSTP1 (0.38) L3MBTL1TSHRGSTP1NPC1ALDH1A1
SCHEMBL15439128 0.85 L3MBTL1 (0.39) L3MBTL1TSHRGSTP1NPC1ZDHHC20
SCHEMBL15438175 0.84 GSTP1 (0.40) L3MBTL1TSHRGSTP1NPC1ALDH1A1
SCHEMBL15438134 0.83 GSTP1 (0.39) L3MBTL1TSHRGSTP1NPC1ALDH1A1
SCHEMBL15438843 0.79 GSTP1 (0.37) L3MBTL1TSHRGSTP1NPC1ALDH1A1
SCHEMBL27778303 0.79 MGAM (0.46) TSHRALDH1A1CYP1A2LMNAPOLB
SCHEMBL15438293 0.78 GSTP1 (0.35) TSHRGSTP1NPC1ALDH1A1TAAR1
SCHEMBL15438960 0.77 TSHR (0.34) L3MBTL1TSHRGSTP1NPC1ACHE
SCHEMBL15439104 0.77 GSTP1 (0.38) L3MBTL1TSHRGSTP1NPC1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9384906-B2 Non-aqueous electrolyte solution and electricity-storage device using same UBE INDUSTRIES, LTD. (JP) 2016-07-05 US disclosed
US-20140030610-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY-STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD (JP) 2014-01-30 US disclosed