SCHEMBL10179517

SCHEMBL10179517

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
LMNA P02545 2/20 0.42
HSD11B1 P28845 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
GMNN O75496 1/20 0.41
DRD1 P21728 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL30227125 0.84 ALDH1A1 (0.55) ALDH1A1LMNAHSD11B1GAAMAPT
SCHEMBL10181140 0.82 NPC1 (0.41) ALDH1A1LMNAHSD11B1MAPTSMN1; SMN2
SCHEMBL10179542 0.80 ACHE (0.50) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL9906396 0.78 ALDH1A1 (0.57) ALDH1A1LMNAHSD11B1GAAMAPT
SCHEMBL751561 0.76 ALDH1A1 (0.55) ALDH1A1LMNAHSD11B1GAAMAPT
SCHEMBL8745537 0.74 ALDH1A1 (0.53) ALDH1A1LMNAHSD11B1GAAMAPT
SCHEMBL12005159 0.74 ALDH1A1 (0.44) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL10181400 0.73 CA2 (0.52) ALDH1A1LMNAHSD11B1MAPTHPGD
SCHEMBL22518678 0.73 ALDH1A1 (0.61) ALDH1A1LMNAHSD11B1GAAMAPT
SCHEMBL9360098 0.72 ALDH1A1 (0.67) ALDH1A1LMNAHSD11B1GAAMAPT

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