SCHEMBL10180217

SCHEMBL10180217

C=CCS(=O)(=O)Oc1cc(CCCCC)cc(CCCCC)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.57
CA1 P00915 1/20 0.57
CA9 Q16790 1/20 0.57
FUT7 Q11130 2/20 0.55
CNR1 P21554 4/20 0.45
CNR2 P34972 4/20 0.45
THRB P10828 5/20 0.41
PTGS2 P35354 4/20 0.41
GPR84 Q9NQS5 2/20 0.41
CYP3A4 P08684 1/20 0.38
THRA P10827 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL10179927 0.86 PPARA (0.49) CA2CA1CA9FUT7CNR1
SCHEMBL10179907 0.85 THRB (0.55) CA2CA1CA9FUT7THRB
SCHEMBL10180551 0.84 CA2 (0.68) CA2CA1CA9FUT7CNR1
SCHEMBL16394837 0.82 CA2 (0.43) CA2CA1CA9FUT7CNR1
SCHEMBL10180349 0.82 CA2 (0.60) CA2CA1CA9FUT7CNR1
SCHEMBL10180287 0.81 CA2 (0.64) CA2CA1CA9FUT7PTGS2
SCHEMBL10180458 0.78 CA2 (0.68) CA2CA1CA9FUT7PTGS2
SCHEMBL10180303 0.77 THRB (0.44) CA2CA1CA9FUT7THRB
SCHEMBL10181516 0.77 CA2 (0.57) CA2CA1CA9FUT7CNR1
SCHEMBL10179654 0.75 KMT2A (0.57) CA2CA1CA9FUT7CNR1

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