SCHEMBL10180873

SCHEMBL10180873

CCCc1ccccc1S(=O)(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CTSB P07858 1/20 0.37
LMNA P02545 1/20 0.36
KCNH2 Q12809 6/20 0.35
METAP2 P50579 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
KAT6A Q92794 1/20 0.34

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
SCHEMBL10180095 0.90 KCNH2 (0.39) HSD11B1KCNH2
SCHEMBL10180311 0.87 HSD11B1 (0.50) HSD11B1HTR2AHTR2CHTR2BCTSB
SCHEMBL10179881 0.85 HSD11B1 (0.38) HSD11B1CTSBMETAP2CA12CA9
SCHEMBL10179882 0.79 HSD11B1 (0.38) HSD11B1CTSBMETAP2CA12CA9
SCHEMBL11889488 0.79 CTSB (0.42) HSD11B1CTSBMETAP2CA12CA9
SCHEMBL10181745 0.77 GABRA1 (0.40) HSD11B1HTR2AHTR2CHTR2B
SCHEMBL10181521 0.77 DRD2 (0.42) CTSBLMNAMETAP2CA12CA9
SCHEMBL10181520 0.77 PSIP1 (0.45) HSD11B1CTSBLMNAMETAP2CA12
SCHEMBL330570 0.77 CTSB (0.41) HSD11B1CTSBMETAP2CA12CA9
SCHEMBL17705195 0.77 HTR2A (0.43) HSD11B1HTR2AHTR2CHTR2BLMNA

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