SCHEMBL20286644

SCHEMBL20286644

CCc1ccc(-c2ccc(-c3cc(C)c(OC(F)(F)F)c(C)c3)c(C)c2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.38
SCN5A Q14524 2/20 0.38
CYP3A4 P08684 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1C Q13936 1/20 0.37
S1PR1 P21453 3/20 0.35
FFAR1 O14842 2/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
PDK2 Q15119 1/20 0.34
PPARG P37231 3/20 0.33
RORC P51449 1/20 0.33
GPR3 P46089 1/20 0.33
HSD11B1 P28845 1/20 0.32
CHRM5 P08912 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
TSHR P16473 1/20 0.32
PDE2A O00408 1/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32

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
SCHEMBL20286642 0.79 NPC1 (0.36) S1PR1MMP2MMP3PDK2PDE2A
SCHEMBL12603787 0.74 PPARA (0.50) PDK2PPARGRORCPPARDPPARA
SCHEMBL22621275 0.72 RARB (0.43) FFAR4SCN5ACYP3A4KCNH2CACNA1C
SCHEMBL12603798 0.72 PTGS1 (0.44) PPARA
SCHEMBL16961052 0.72 SCN5A (0.40) FFAR4SCN5ACYP3A4CACNA1CFFAR1
SCHEMBL22621246 0.71 RARB (0.44) FFAR4SCN5AFFAR1GPR3SCN8A
SCHEMBL9911959 0.71 GRM2 (0.41) FFAR4FFAR1RORCCHRM5
SCHEMBL19993375 0.71 ESR1 (0.32) SCN5A
SCHEMBL12190330 0.71 PDE3B (0.40) FFAR4PDK2RORCGPR3CHRM5
SCHEMBL3167518 0.70 GRM2 (0.40) FFAR4FFAR1GPR3CHRM5TSHR

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-20180171234-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-06-21 US disclosed