SCHEMBL10180467

SCHEMBL10180467

CC(C)Cc1cccc(S(=O)(=O)CC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
HTR2C P28335 1/20 0.41
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
RORC P51449 1/20 0.37
PNMT P11086 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CETP P11597 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 1/20 0.36
GRM2 Q14416 2/20 0.36

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
SCHEMBL10180377 0.84 LOXL2 (0.41) HTR2AHTR2BHTR2CCYP3A4CYP2C19
SCHEMBL10180429 0.83 PSIP1 (0.48) RORCPNMTALDH1A1NPC1TNF
SCHEMBL10182144 0.83 HTR2A (0.41) HTR2AHTR2BHTR2CRORCALDH1A1
SCHEMBL10180744 0.81 KAT6A (0.42) CYP3A4CYP2C19RORCPNMTCYP2D6
SCHEMBL9303097 0.81 PNMT (0.44) CYP3A4CYP2C19RORCPNMTALDH1A1
SCHEMBL23665873 0.80 NPC1 (0.42) HTR2AHTR2BHTR2CPNMTALDH1A1
SCHEMBL10180190 0.80 ALDH1A1 (0.51) HTR2AALDH1A1CYP2C9LMNAKDM4E
SCHEMBL27876500 0.80 HTR6 (0.50) PNMTALDH1A1LMNAMAPTNPC1
SCHEMBL10180846 0.79 TSHR (0.45) ALDH1A1CYP2D6MAPT
SCHEMBL10180466 0.79 HTR2A (0.39) HTR2AHTR2BHTR2CRORCALDH1A1

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