SCHEMBL10180458

SCHEMBL10180458

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

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.68
CA1 P00915 1/20 0.68
CA9 Q16790 1/20 0.68
FUT7 Q11130 2/20 0.64
PTGS2 P35354 4/20 0.47
GPR84 Q9NQS5 2/20 0.47
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PPARA Q07869 4/20 0.40
PPARG P37231 3/20 0.40
MAPK10 P53779 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL10180551 0.86 CA2 (0.68) CA2CA1CA9FUT7PTGS2
SCHEMBL10179751 0.83 PPARA (0.56) CA2CA1CA9FUT7PPARA
SCHEMBL10180287 0.83 CA2 (0.64) CA2CA1CA9FUT7PTGS2
SCHEMBL10181185 0.82 CA2 (0.54) CA2CA1CA9FUT7PTGS2
SCHEMBL10179904 0.81 CA2 (0.62) CA2CA1CA9FUT7PTGS2
SCHEMBL10180349 0.80 CA2 (0.60) CA2CA1CA9FUT7PTGS2
SCHEMBL11165185 0.79 FUT7 (0.69) CA2CA1CA9FUT7PTGS2
SCHEMBL16395010 0.79 CA2 (0.50) CA2CA1CA9FUT7PTGS2
SCHEMBL10181515 0.78 CA2 (0.61) CA2CA1CA9FUT7PTGS2
SCHEMBL10181516 0.78 CA2 (0.57) 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