SCHEMBL8969535

SCHEMBL8969535

CCCCCC1COC(CCCCc2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)c(F)c2)OC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.39
ENPP2 Q13822 2/20 0.34
S1PR1 P21453 6/20 0.33
S1PR3 Q99500 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.33
HTT P42858 3/20 0.32
MAPT P10636 3/20 0.32
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
APAF1 O14727 1/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PPARD Q03181 1/20 0.31
RAB9A P51151 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL8969819 0.97 RARB (0.42) RARBENPP2S1PR1S1PR3SMN1; SMN2
SCHEMBL8969505 0.90 RARB (0.37) RARBENPP2S1PR1S1PR3FFAR4
SCHEMBL8969598 0.86 S1PR1 (0.33) RARBS1PR1PPARDCNR2
SCHEMBL8969305 0.86 RARB (0.41) RARBENPP2S1PR1S1PR3SMN1; SMN2
SCHEMBL8969744 0.86 CNR2 (0.33) RARBS1PR1CNR2
SCHEMBL8971099 0.85 RARB (0.33) RARBS1PR1S1PR3PPARDCNR2
SCHEMBL8970738 0.85 S1PR1 (0.34) RARBS1PR1S1PR3THRBPPARD
SCHEMBL8969591 0.84 CNR2 (0.34) RARBENPP2CNR2
SCHEMBL8969780 0.84 CNR2 (0.34) RARBENPP2CNR2
SCHEMBL8969882 0.84 CNR2 (0.34) RARBENPP2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed