SCHEMBL10180459

SCHEMBL10180459

CCCCCc1ccccc1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
ESR1 P03372 1/20 0.47
GAA P10253 1/20 0.47
ESR2 Q92731 1/20 0.47
DHODH Q02127 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
MCHR1 Q99705 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
VDR P11473 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 2/20 0.41

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
SCHEMBL10180452 0.90 THRA (0.48) MEN1KMT2ADHODHTHRATHRB
SCHEMBL8499352 0.85 DHODH (0.59) LMNAMAPK1MEN1KMT2AESR1
SCHEMBL6934698 0.83 LMNA (0.53) LMNAMAPK1MEN1KMT2AESR1
SCHEMBL10180646 0.83 HTT (0.51) LMNAMAPK1MEN1KMT2AGAA
SCHEMBL3841651 0.82 LMNA (0.55) LMNAMAPK1MEN1KMT2AESR1
SCHEMBL6846510 0.82 LMNA (0.49) LMNAMAPK1MEN1KMT2AESR1
SCHEMBL11791849 0.81 THRA (0.52) THRATHRBALOX5PTGS2
SCHEMBL10179746 0.80 THRA (0.49) THRATHRBALOX5PTGS2
SCHEMBL6148121 0.80 MEN1 (0.58) LMNAMAPK1MEN1KMT2AESR1
SCHEMBL3142288 0.80 LMNA (0.52) LMNAMAPK1MEN1KMT2AESR1

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