SCHEMBL7960127

SCHEMBL7960127

Cc1cc(OCC(F)(F)F)cc(C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP2C9 P11712 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP2C19 P33261 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PAX8 Q06710 2/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 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
SCHEMBL28153249 0.80 ALDH1A1 (0.62) MAPTALDH1A1CYP2C9CYP17A1CYP2C19
SCHEMBL16883814 0.79 MAPT (0.36) MAPTALDH1A1CYP2C9CYP2C19ESR1
SCHEMBL17204371 0.77 ALDH1A1 (0.48) MAPTALDH1A1CYP2C9CYP17A1CYP2C19
SCHEMBL17534097 0.77 MAPT (0.57) MAPTALDH1A1CYP2C9CYP17A1CYP2C19
SCHEMBL8283885 0.77 MAPT (0.63) MAPTALDH1A1CYP2C9CYP17A1CYP2C19
SCHEMBL16727185 0.77 ALDH1A1 (0.63) MAPTALDH1A1CYP2C9CYP17A1CYP2C19
SCHEMBL24683493 0.76 CYP2C9 (0.49) MAPTALDH1A1CYP2C9CYP17A1CYP2C19
SCHEMBL3763744 0.75 AGBL2 (0.45) MAPTALDH1A1CYP2C9MEN1KMT2A
SCHEMBL7960061 0.75 MAPT (0.43) MAPTALDH1A1CYP2C9CYP17A1CYP2C19
SCHEMBL13191751 0.74 MAPT (0.46) MAPTALDH1A1CYP2C9CYP17A1CYP2C19

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-6262078-B1 Phenoxymethyl piperidine derivatives for the treatment of neuropathic pain SYNTEX (U.S.A.) LLC 2001-07-17 US disclosed
US-6110937-A A SODIUM CHANNEL BLOCKER TREATING AS LOCAL ANESTHETICS AND IN THE TREATMENT OF CARDIAC ARRHYTHMIAS SYNTEX USA, INC. (US) 2000-08-29 US disclosed
EP-0869119-A1 Phenoxymethyl piperidine derivatives being sodium channle blockers F. HOFFMANN-LA ROCHE AG (CH) 1998-10-07 EP disclosed