SCHEMBL10180086

SCHEMBL10180086

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.34
HSD11B1 P28845 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
KCNH2 Q12809 2/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP12 P39900 2/20 0.33
MMP13 P45452 2/20 0.33
MMP14 P50281 2/20 0.33
MMP16 P51512 2/20 0.33
PSIP1 O75475 1/20 0.32
RORC P51449 1/20 0.32
CASP1 P29466 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL10180863 0.83 HSD11B1 (0.47) TSHRSMN1; SMN2HSD11B1HTR2AHTR2C
SCHEMBL10179740 0.80 MMP2 (0.51) TSHRSMN1; SMN2HSD11B1HTR2AHTR2C
SCHEMBL10180918 0.79 TSHR (0.50) TSHRSMN1; SMN2HSD11B1RORCCASP1
SCHEMBL10180789 0.78 TSHR (0.52) TSHRSMN1; SMN2RORCCASP1HDAC4
SCHEMBL10180449 0.78 TSHR (0.52) TSHRSMN1; SMN2MMP1MMP2MMP9
SCHEMBL10179600 0.76 CTSB (0.45) SMN1; SMN2HSD11B1PSIP1
SCHEMBL6730274 0.76 TSHR (0.55) TSHRMMP1MMP2MMP9MMP8
SCHEMBL10180083 0.75 TSHR (0.42) TSHRHSD11B1RORCCASP1
SCHEMBL10180084 0.74 TSHR (0.44) TSHRSMN1; SMN2HSD11B1HTR2AHTR2C
SCHEMBL10042821 0.73 TSHR (0.47) TSHRRORCCASP1

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