SCHEMBL10180646

SCHEMBL10180646

CCCCCc1ccc(OS(=O)(=O)c2ccc(C)cc2)c(CCCCC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RAD52 P43351 2/20 0.51
MAPK1 P28482 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALPI P09923 2/20 0.48
ALPL P05186 1/20 0.48
APAF1 O14727 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA2 P00918 2/20 0.44
CNR2 P34972 5/20 0.44
CNR1 P21554 4/20 0.44
THRB P10828 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
SCHEMBL10180574 0.88 HTT (0.50) HTTMAPTMEN1KMT2ARAD52
SCHEMBL10180459 0.83 LMNA (0.48) HTTMAPTMEN1KMT2AMAPK1
SCHEMBL10181843 0.81 HTT (0.47) HTTMAPTMEN1KMT2ARAD52
SCHEMBL10179890 0.81 HTT (0.49) HTTMAPTMEN1KMT2ARAD52
SCHEMBL10179950 0.81 HTT (0.49) HTTMAPTMEN1KMT2ARAD52
SCHEMBL10180587 0.80 ENPP1 (0.59) HTTMEN1KMT2AALPIALPL
SCHEMBL10179898 0.79 FUT7 (0.57) HTTMEN1KMT2ALMNAKDM4E
SCHEMBL26624926 0.79 FUT7 (0.61) HTTMEN1KMT2ALMNACA2
SCHEMBL8499431 0.79 ALPI (0.53) MAPTMEN1KMT2AMAPK1NPSR1
SCHEMBL10179421 0.78 PPARA (0.49) MEN1KMT2AALDH1A1LMNACA2

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