SCHEMBL7960061

SCHEMBL7960061

CC(=O)Oc1c(C)cc(OCC(F)(F)F)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PAX8 Q06710 2/20 0.41
GAA P10253 2/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
XBP1 P17861 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL23809728 0.77 BACE1 (0.52) MAPTALDH1A1HTTMEN1LMNA
SCHEMBL7960127 0.75 MAPT (0.52) MAPTALDH1A1HTTMEN1LMNA
SCHEMBL21268222 0.74 MAPT (0.43) MAPTALDH1A1HTTMEN1LMNA
SCHEMBL3763744 0.74 AGBL2 (0.45) MAPTALDH1A1HTTMEN1LMNA
SCHEMBL6817528 0.73 HTT (0.47) MAPTALDH1A1HTTMEN1LMNA
SCHEMBL13191751 0.73 MAPT (0.46) MAPTALDH1A1HTTMEN1LMNA
SCHEMBL3770072 0.73 MAPT (0.42) MAPTALDH1A1HTTMEN1LMNA
SCHEMBL17520962 0.72 BACE1 (0.41) MAPTALDH1A1HTTMEN1LMNA
SCHEMBL28153249 0.72 ALDH1A1 (0.62) MAPTALDH1A1HTTMEN1LMNA
SCHEMBL7384263 0.71 KDM4E (0.49) MAPTALDH1A1HTTLMNAGAA

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