SCHEMBL7868570

SCHEMBL7868570

CCN(CC)CC.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C19 P33261 1/20 0.34
BCHE P06276 5/20 0.33
ACHE P22303 5/20 0.33
RELA Q04206 2/20 0.33
S1PR4 O95977 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
S1PR1 P21453 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GRM5 P41594 1/20 0.32
CNR2 P34972 1/20 0.31
NFE2L2 Q16236 1/20 0.31
PAX8 Q06710 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
SCHEMBL9222592 0.87 MAOB (0.39) CYP2C19S1PR4ALDH1A1LMNAMAPT
SCHEMBL5352063 0.85 MAOB (0.41) CYP2C19S1PR4ALDH1A1LMNAMAPT
SCHEMBL10522046 0.85 MAOB (0.41) CYP2C19S1PR4ALDH1A1LMNAMAPT
SCHEMBL10415151 0.80 MAOB (0.42) CYP2C19S1PR4ALDH1A1LMNAMAPT
SCHEMBL10415153 0.80 MAOB (0.42) CYP2C19S1PR4ALDH1A1LMNAMAPT
SCHEMBL9219446 0.74 NFE2L2 (0.44) NPC1CYP2C19RELAMAPTNFE2L2
SCHEMBL316507 0.73 MLYCD (0.51) NPC1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL16439910 0.72 MAOB (0.46) CYP2C19S1PR4ALDH1A1LMNAMAPT
SCHEMBL16439911 0.72 MAOB (0.46) CYP2C19S1PR4ALDH1A1LMNAMAPT
SCHEMBL9227398 0.72 NFE2L2 (0.45) NPC1CYP2C19RELAMAPTNFE2L2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066657-A1 ELECTROLYTES CONTAINING MIXED FLUOROCARBON/HYDROCARBON IMIDE AND METHIDE SALTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2001-01-10 EP disclosed
EP-0980353-A1 FLUORINATED SULPHONAMIDE AND SULPHONE DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-02-23 EP disclosed
WO-1999049529-A1 ELECTROLYTES CONTAINING MIXED FLUOROCARBON/HYDROCARBON IMIDE AND METHIDE SALTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-09-30 WO disclosed
WO-1998050349-A1 FLUORINATED SULPHONAMIDE AND SULPHONE DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-11-12 WO disclosed