SCHEMBL10180918

SCHEMBL10180918

CCC(C)c1ccccc1S(=O)(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
HSD11B1 P28845 2/20 0.38
RORC P51449 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
GRIA4 P48058 1/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
CASP1 P29466 1/20 0.32
CNR1 P21554 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL10180083 0.86 TSHR (0.42) TSHRHSD11B1RORCCA2CA1
SCHEMBL8645369 0.82 HSD11B1 (0.51) TSHRHSD11B1GABRA1GABRB2CA2
SCHEMBL8645370 0.82 HSD11B1 (0.51) TSHRHSD11B1GABRA1GABRB2CA2
SCHEMBL10180084 0.82 TSHR (0.44) TSHRHSD11B1RORCHDAC4HDAC2
SCHEMBL10180449 0.79 TSHR (0.52) TSHRRORCHDAC4HDAC2HDAC8
SCHEMBL10180789 0.79 TSHR (0.52) TSHRRORCHDAC4HDAC2HDAC8
SCHEMBL10180086 0.79 TSHR (0.44) TSHRHSD11B1RORCHDAC4HDAC2
SCHEMBL6730274 0.77 TSHR (0.55) TSHRRORCHDAC4HDAC2HDAC8
SCHEMBL10042821 0.75 TSHR (0.47) TSHRRORCCA2CA1CASP1
SCHEMBL10179740 0.75 MMP2 (0.51) TSHRHSD11B1SMN1; SMN2

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