SCHEMBL10179904

SCHEMBL10179904

CCCCCc1cc(CCCCC)cc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.62
CA1 P00915 1/20 0.62
CA9 Q16790 1/20 0.62
FUT7 Q11130 2/20 0.59
PTGS2 P35354 4/20 0.44
GPR84 Q9NQS5 2/20 0.44
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
CYP3A4 P08684 1/20 0.41
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
TRPV1 Q8NER1 2/20 0.39
FAAH O00519 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL31442589 0.89 FUT7 (0.58) CA2CA1CA9FUT7CNR1
SCHEMBL10181515 0.86 CA2 (0.61) CA2CA1CA9FUT7PTGS2
SCHEMBL10181555 0.85 PPARA (0.56) CA2CA1CA9FUT7PPARG
SCHEMBL7930478 0.84 CA2 (0.50) CA2CA1CA9FUT7PTGS2
SCHEMBL10181516 0.83 CA2 (0.57) CA2CA1CA9FUT7PTGS2
SCHEMBL16395195 0.83 CA2 (0.45) CA2CA1CA9FUT7PTGS2
SCHEMBL22666338 0.83 CA2 (0.49) CA2CA1CA9FUT7CYP3A4
SCHEMBL12620520 0.82 FUT7 (0.48) CA2CA1CA9FUT7PTGS2
SCHEMBL10180551 0.81 CA2 (0.68) CA2CA1CA9FUT7PTGS2
SCHEMBL10180458 0.81 CA2 (0.68) CA2CA1CA9FUT7PTGS2

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
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed