SCHEMBL10180574

SCHEMBL10180574

CCCCCc1ccc(OS(=O)(=O)c2ccccc2)c(CCCCC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.50
MAPT P10636 4/20 0.50
MAPK1 P28482 3/20 0.50
APAF1 O14727 2/20 0.50
THRB P10828 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAD52 P43351 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL10180646 0.88 HTT (0.51) HTTMAPTMAPK1APAF1THRB
SCHEMBL10180452 0.85 THRA (0.48) MAPTTHRBL3MBTL1MEN1KMT2A
SCHEMBL10181497 0.83 HTT (0.49) HTTMAPTMAPK1APAF1THRB
SCHEMBL10181843 0.82 HTT (0.47) HTTMAPTMAPK1APAF1THRB
SCHEMBL10179950 0.82 HTT (0.49) HTTMAPTMAPK1APAF1THRB
SCHEMBL10179890 0.82 HTT (0.49) HTTMAPTMAPK1APAF1THRB
SCHEMBL10179761 0.80 HTT (0.48) HTTMAPTMAPK1APAF1THRB
SCHEMBL16394975 0.80 HTT (0.46) HTTMAPTMAPK1APAF1THRB
SCHEMBL10180729 0.79 TDP1 (0.53) MAPTTHRBSMN1; SMN2NPC1ALDH1A1
SCHEMBL10179888 0.78 PPARA (0.54) SMN1; SMN2ALDH1A1CA2CA1CA9

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