SCHEMBL10179421

SCHEMBL10179421

CCCCCc1cccc(OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.49
PPARG P37231 4/20 0.49
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47
FUT7 Q11130 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
CNR2 P34972 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ENPP1 P22413 1/20 0.44
CYP1A1 P04798 2/20 0.43

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
SCHEMBL10179888 0.89 PPARA (0.54) PPARAPPARGFUT7CA1CA2
SCHEMBL26624926 0.88 FUT7 (0.61) FUT7CA1CA2CA9LMNA
SCHEMBL10179898 0.88 FUT7 (0.57) FUT7CA1CA2CA9LMNA
SCHEMBL6939231 0.84 MEN1 (0.49) PPARGDRD2DRD1DRD4DRD5
SCHEMBL10180587 0.83 ENPP1 (0.59) PPARGFUT7CA2LMNACNR2
SCHEMBL10179932 0.81 PPARA (0.53) PPARAPPARGFUT7CA1CA2
SCHEMBL28916873 0.81 PPARA (0.60) PPARAPPARGFUT7CA1CA2
SCHEMBL8945709 0.81 PPARA (0.60) PPARAPPARGFUT7CA1CA2
SCHEMBL10180571 0.80 PPARA (0.56) PPARAPPARGFUT7CA1CA2
SCHEMBL29159395 0.80 PPARA (0.59) PPARAPPARGFUT7CA1CA2

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