SCHEMBL10179513

SCHEMBL10179513

CC(C)(C)c1ccc(S(=O)(=O)C(F)(F)CF)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
RORA P35398 1/20 0.42
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 3/20 0.41
HSD11B1 P28845 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 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
SCHEMBL10181138 0.84 ALDH1A1 (0.42) ALDH1A1CA1CA2LMNAHSD11B1
SCHEMBL10145040 0.80 ALDH1A1 (0.69) ALDH1A1RORACA1CA2CA9
SCHEMBL10179537 0.80 ACHE (0.47) ALDH1A1CA1CA2ACHEHPGD
SCHEMBL10181398 0.78 CA2 (0.50) ALDH1A1CA2LMNAHSD11B1MAPT
SCHEMBL13885951 0.77 LMNA (0.45) CA1CA2CA9LMNAGAA
SCHEMBL12005154 0.76 LMNA (0.41) ALDH1A1CA1CA2CA9LMNA
SCHEMBL13241448 0.76 HTR6 (0.42) ALDH1A1CA1CA2CA9LMNA
SCHEMBL2739639 0.76 ALDH1A1 (0.75) ALDH1A1CA1CA2CA9LMNA
SCHEMBL10034520 0.76 ALDH1A1 (1.00) ALDH1A1CA1CA2CA9LMNA
SCHEMBL10181579 0.75 CA2 (0.53) ALDH1A1CA1CA2LMNAHSD11B1

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