SCHEMBL10180929

SCHEMBL10180929

CCC(C)(C)c1ccccc1OS(=O)(=O)C(F)(F)CF

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.33
DRD3 P35462 5/20 0.33
DRD4 P21917 3/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
ELANE P08246 1/20 0.32
ATM Q13315 2/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
HTR1D P28221 2/20 0.31
CASP1 P29466 1/20 0.30
HTR5A P47898 1/20 0.30

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
SCHEMBL10179774 0.87 DRD2 (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL10180520 0.79 SMN1; SMN2 (0.36) ELANEATMNPC1LMNAMAPK1
SCHEMBL10180560 0.79 MAPK1 (0.36) ELANEATMNPC1LMNAMAPK1
SCHEMBL10180931 0.77 NPC1 (0.34) ELANEATMNPC1LMNAMAPK1
SCHEMBL10180622 0.76 LMNA (0.37) ATMNPC1LMNAMAPK1CASP3
SCHEMBL10182025 0.75 NPC1 (0.45) ATMNPC1LMNAMAPK1CASP3
SCHEMBL10179979 0.75 ALDH1A1 (0.47) NPC1LMNAMAPK1RAB9ASMN1; SMN2
SCHEMBL10181361 0.75 NPSR1 (0.34) ELANEATMNPC1LMNAMAPK1
SCHEMBL15454252 0.75 ATM (0.39) DRD2DRD3DRD4DRD1DRD5
SCHEMBL10180626 0.74 CASP1 (0.33) ELANEATMNPC1LMNAMAPK1

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