SCHEMBL778785

SCHEMBL778785

Cc1ccc(S(=O)(=O)O)c(C2CCCC(F)C2)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.35
EPHX2 P34913 6/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KDM2B Q8NHM5 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PTGS2 P35354 1/20 0.31
TSHR P16473 2/20 0.30
MCOLN3 Q8TDD5 1/20 0.30

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
SCHEMBL9101617 0.90 CHRNB2 (0.39) PTGDR2EPHX2NOS3NOS1NOS2
SCHEMBL30764027 0.87 PTGDR2 (0.43) PTGDR2EPHX2NOS3NOS1NOS2
SCHEMBL28642529 0.85 CNR2 (0.38) PTGDR2NOS3NOS1NOS2
SCHEMBL5278348 0.84 PTGDR2 (0.47) PTGDR2EPHX2NOS3NOS1NOS2
SCHEMBL778056 0.83 PTGDR2 (0.35) PTGDR2EPHX2CHRNB2CHRNA4HCRTR1
SCHEMBL2217850 0.83 PTGDR2 (0.46) PTGDR2EPHX2NOS3NOS1NOS2
SCHEMBL361128 0.83 PTGDR2 (0.49) PTGDR2EPHX2SMN1; SMN2TSHRMCOLN3
SCHEMBL23702398 0.82 PTGDR2 (0.36) PTGDR2EPHX2NOS3NOS1NOS2
SCHEMBL9101971 0.81 PTGDR2 (0.39) PTGDR2EPHX2NOS3NOS1NOS2
SCHEMBL16712212 0.81 CHRNB2 (0.43) PTGDR2EPHX2CHRNB2CHRNA4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed