SCHEMBL20202940

SCHEMBL20202940

CCCCc1cc(F)c(OCc2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.38
FFAR4 Q5NUL3 4/20 0.36
MPL P40238 7/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
FAAH O00519 1/20 0.31
PTGS2 P35354 1/20 0.31
FFAR1 O14842 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
SCHEMBL20202930 0.97 RARB (0.42) RARBFFAR4MPLHSD17B1HSD17B2
SCHEMBL20202927 0.93 FFAR4 (0.37) RARBFFAR4HSD17B1HSD17B2ESR1
SCHEMBL20202958 0.93 RARB (0.35) RARBFFAR4MPL
SCHEMBL15088627 0.91 FFAR4 (0.36) FFAR4HSD17B1HSD17B2ESR1ESR2
SCHEMBL20202964 0.91 RARB (0.38) RARBMPLS1PR1S1PR3
SCHEMBL20202939 0.90 FFAR4 (0.37) RARBFFAR4ESR1ESR2
SCHEMBL20202955 0.89 RARB (0.39) RARBFFAR4FAAHPTGS2
SCHEMBL20202923 0.89 RARB (0.43) RARBMPLHSD17B1HSD17B2ESR1
SCHEMBL20202961 0.88 RARB (0.42) RARBMPLS1PR1S1PR3ESR1
SCHEMBL19082933 0.88 RARB (0.41) RARBFFAR4MPLS1PR1S1PR3

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