SCHEMBL5488560

SCHEMBL5488560

CC(C)P(=O)(OCCCCOP(=O)(C(C)C)C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
LPAR3 Q9UBY5 9/20 0.39
LPAR2 Q9HBW0 8/20 0.39
LPAR1 Q92633 4/20 0.39
TRPM8 Q7Z2W7 5/20 0.32
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CDC25A P30304 1/20 0.31
AGTR1 P30556 1/20 0.31
AKT1 P31749 1/20 0.31
ADRA1A P35348 1/20 0.31
KCNH2 Q12809 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
SCHEMBL5487520 0.94 CYP3A4 (0.40) CYP3A4LPAR3LPAR2LPAR1TRPM8
SCHEMBL5490971 0.88 CYP3A4 (0.32) CYP3A4
SCHEMBL2486635 0.81 MEN1 (0.39) CYP3A4LPAR3LPAR2LPAR1TRPM8
SCHEMBL5493758 0.77 TRPM8 (0.41) CYP3A4LPAR3LPAR2LPAR1TRPM8
SCHEMBL575983 0.74 TSHR (0.50) TRPM8
SCHEMBL5489021 0.74
SCHEMBL5486216 0.72 TRPM8 (0.41) CYP3A4LPAR3LPAR2LPAR1TRPM8
SCHEMBL12212668 0.72 LPAR3 (0.50) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL12212669 0.72 LPAR3 (0.50) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL5488149 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070087270-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SOLUTION SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2007-04-19 US disclosed
US-7169511-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte solution secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2007-01-30 US disclosed
EP-1555711-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY CONTAINING THE SAME Mitsubishi Chemical Corporation (JP) 2005-07-20 EP disclosed
US-20050014071-A1 Nonaqueous electrolyte solution and nonaqueous electrolyte solution secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-01-20 US disclosed