SCHEMBL10180872

SCHEMBL10180872

O=S(=O)(c1ccccc1)c1ccccc1C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.54
HTR6 P50406 8/20 0.50
FFAR2 O15552 2/20 0.47
PTGS2 P35354 1/20 0.45
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
GAPDH P04406 1/20 0.39
PTPN7 P35236 1/20 0.39

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
SCHEMBL10179449 0.98 HSD11B1 (0.52) HSD11B1HTR6FFAR2PTGS2KMT2A
SCHEMBL10179999 0.89 HSD11B1 (0.48) HSD11B1HTR6FFAR2PTGS2KMT2A
SCHEMBL10180538 0.87 PTGS2 (0.49) HSD11B1FFAR2PTGS2TSHRALDH1A1
SCHEMBL13210401 0.79 HSD11B1 (0.62) HSD11B1HTR6PTGS2HTTKDM4E
SCHEMBL1013307 0.79 HTR6 (0.58) HSD11B1HTR6
SCHEMBL10180103 0.78 PTGS2 (0.55) HSD11B1HTR6PTGS2ALDH1A1MAPT
SCHEMBL16947752 0.78 PTGES2 (0.49) HSD11B1PTGS2KMT2AMAPTPTGDR2
SCHEMBL4279326 0.76 PTGS2 (0.46) HSD11B1PTGS2TSHRALDH1A1MAPT
SCHEMBL9727253 0.76 PTGS2 (0.46) HSD11B1PTGS2KMT2ATSHRMEN1
SCHEMBL10192344 0.76 PTGS2 (0.58) HSD11B1PTGS2KMT2AKDM4EMEN1

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