SCHEMBL10179748

SCHEMBL10179748

O=S(=O)(c1ccccc1C1CCCC1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
PTGS2 P35354 1/20 0.44
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2C P28335 2/20 0.37
PTPN5 P54829 3/20 0.36
PTPN2 P17706 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL10179917 0.98 PTGS2 (0.47) HSD11B1PTGS2MAPTALDH1A1L3MBTL1
SCHEMBL10181233 0.84 HSD11B1 (0.42) HSD11B1PTGS2MAPTALDH1A1L3MBTL1
SCHEMBL10180450 0.83 PTGS2 (0.43) HSD11B1PTGS2MAPTALDH1A1L3MBTL1
SCHEMBL10179999 0.80 HSD11B1 (0.48) HSD11B1PTGS2MAPTALDH1A1L3MBTL1
SCHEMBL10181236 0.79 HSD11B1 (0.43) HSD11B1PTGS2DRD2DRD1DRD4
SCHEMBL10180538 0.78 PTGS2 (0.49) HSD11B1PTGS2MAPTALDH1A1L3MBTL1
SCHEMBL10180451 0.78 PTGS2 (0.43) HSD11B1PTGS2DRD2DRD1DRD4
SCHEMBL16947752 0.77 PTGES2 (0.49) HSD11B1PTGS2MAPTPTGDR2KMT2A
SCHEMBL10180103 0.77 PTGS2 (0.55) HSD11B1PTGS2MAPTALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7254235 0.75 PTGES2 (0.48) HSD11B1PTGS2MAPTPTGDR2KMT2A

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