SCHEMBL5329906

SCHEMBL5329906

[3H]C([3H])([3H])C(c1ccc(OC(F)=C(F)F)cc1)(c1ccc(OC(F)=C(F)F)cc1)c1ccc(OC(F)=C(F)F)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KIF11 P52732 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL1505720 0.86 MAPT (0.38) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL12834526 0.80 HSD11B1 (0.43) MAPTNPC1RAB9ATDP1L3MBTL1
SCHEMBL12834528 0.80 ESR1 (0.50)
SCHEMBL8639066 0.80 ESR1 (0.50) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL5052389 0.79 ESR1 (0.43) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL12200936 0.79 MAPT (0.49) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL4530562 0.77 RAB9A (0.35) MAPTHTTRAB9ASMN1; SMN2KIF11
SCHEMBL13577644 0.75 ESR2 (0.44) MAPT
SCHEMBL9006703 0.75 ALDH1A1 (0.34) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL9006533 0.75 PTPN1 (0.38) MAPTNPC1HTTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007005335-A1 BIOMEDICAL DEVICES BAUSCH & LOMB INCORPORATED (US) 2007-01-11 WO disclosed
WO-2007005356-A1 BIOMEDICAL DEVICES BAUSCH & LOMB INCORPORATED (US) 2007-01-11 WO disclosed