SCHEMBL10179400

SCHEMBL10179400

CCCCc1ccc(S(=O)(=O)C(F)(F)CF)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.42
FAAH O00519 1/20 0.42
PDPK1 O15530 2/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AKT1 P31749 1/20 0.41
FDFT1 P37268 1/20 0.40

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
SCHEMBL10181579 0.90 CA2 (0.53) CA2SMN1; SMN2FFAR1FFAR4LMNA
SCHEMBL10181226 0.85 CA2 (0.61) CA2SMN1; SMN2FFAR1FFAR4LMNA
SCHEMBL10181398 0.83 CA2 (0.50) CA2SMN1; SMN2FFAR4LMNAHTT
SCHEMBL10181301 0.82 TRPV1 (0.41) CA2SMN1; SMN2CNR2
SCHEMBL28503721 0.75 CA2 (0.67) CA2SMN1; SMN2FFAR1FFAR4LMNA
SCHEMBL10180188 0.75 ALDH1A1 (0.49) CA2SMN1; SMN2LMNACA12CA1
SCHEMBL10179403 0.75 CA2 (0.57) CA2SMN1; SMN2FFAR1FFAR4LMNA
SCHEMBL10791903 0.75 CA2 (0.71) CA2SMN1; SMN2FFAR1FFAR4LMNA
SCHEMBL10180038 0.74 CA2 (0.58) CA2SMN1; SMN2FFAR4LMNAHTT
SCHEMBL10179769 0.74 STS (0.49) CA2SMN1; SMN2LMNACA1CA9

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