SCHEMBL20202950

SCHEMBL20202950

CCCc1ccc(-c2cc(F)c(OCc3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.32
GRM2 Q14416 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HDAC1 Q13547 5/20 0.31
HDAC6 Q9UBN7 5/20 0.31
HDAC5 Q9UQL6 5/20 0.31
HDAC8 Q9BY41 2/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 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
SCHEMBL20202957 0.94 RARB (0.33) FFAR4
SCHEMBL20202958 0.94 RARB (0.35) FFAR4GRM2HDAC1HDAC6HDAC5
SCHEMBL20202955 0.93 RARB (0.39) FFAR4GRM2
SCHEMBL20202927 0.92 FFAR4 (0.37) FFAR4CNR1CNR2HDAC1HDAC6
SCHEMBL20202954 0.92 KDM1A (0.35) FFAR4CNR1HDAC1HDAC6HDAC5
SCHEMBL20202960 0.88 FFAR4 (0.33) FFAR4
SCHEMBL20202937 0.87 FFAR4 (0.34) FFAR4MAOAACHEMAOB
SCHEMBL20202952 0.87 FFAR4 (0.34) FFAR4MAOAACHEMAOB
SCHEMBL20202964 0.87 RARB (0.38)
SCHEMBL20202961 0.86 RARB (0.42)

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-20180148647-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY USING SAME DIC CORPORATION (JP) 2018-05-31 US disclosed