SCHEMBL10179449

SCHEMBL10179449

O=S(=O)(c1ccccc1)c1ccccc1C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.52
FFAR2 O15552 3/20 0.49
HTR6 P50406 7/20 0.49
PTGS2 P35354 1/20 0.48
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.40

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
SCHEMBL10180872 0.98 HSD11B1 (0.54) HSD11B1FFAR2HTR6PTGS2KMT2A
SCHEMBL10180538 0.89 PTGS2 (0.49) HSD11B1FFAR2PTGS2ALDH1A1PTGDR2
SCHEMBL10179999 0.87 HSD11B1 (0.48) HSD11B1FFAR2HTR6PTGS2KMT2A
SCHEMBL9727253 0.79 PTGS2 (0.46) HSD11B1PTGS2KMT2AMEN1ALDH1A1
SCHEMBL4279326 0.79 PTGS2 (0.46) HSD11B1PTGS2ALDH1A1PTGDR2PTGES2
SCHEMBL10192344 0.79 PTGS2 (0.58) HSD11B1PTGS2KMT2AKDM4EMEN1
SCHEMBL1046363 0.79 PTGES2 (0.51) HSD11B1PTGS2PTGDR2PTGES2
SCHEMBL13210401 0.78 HSD11B1 (0.62) HSD11B1HTR6PTGS2KDM4EALDH1A1
SCHEMBL1013307 0.78 HTR6 (0.58) HSD11B1HTR6
SCHEMBL10179567 0.77 TSHR (0.49) HTR6PTGS2KDM4EALDH1A1PTGDR2

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