SCHEMBL20004683

SCHEMBL20004683

CCCOc1cc(F)c(C#Cc2ccc(-c3ccc(CCc4ccc(-c5ccc(C)cc5F)cc4)cc3F)cc2)c(CC)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.39
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
FFAR1 O14842 3/20 0.36
FFAR4 Q5NUL3 3/20 0.36
RARB P10826 1/20 0.34
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACACA Q13085 1/20 0.32
C3AR1 Q16581 1/20 0.32
KDM1A O60341 1/20 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
SCHEMBL20004797 0.87 S1PR1 (0.37) ACACBS1PR1S1PR3FFAR1FFAR4
SCHEMBL19999528 0.85 RARB (0.38) ACACBFFAR1FFAR4RARBKDM1A
SCHEMBL20004614 0.83 RARB (0.41) ACACBS1PR1S1PR3FFAR1FFAR4
SCHEMBL19999622 0.81 RARA (0.38) ACACBFFAR1FFAR4RARBACACA
SCHEMBL20004756 0.81 ACACB (0.43) ACACBS1PR1S1PR3FFAR1RARB
SCHEMBL19999430 0.79 ACACB (0.40) ACACBS1PR1S1PR3FFAR1RARB
SCHEMBL19999526 0.79 RARB (0.45) S1PR1S1PR3FFAR1RARB
SCHEMBL20006828 0.78 RARB (0.39) ACACBFFAR1FFAR4RARBKDM1A
SCHEMBL19999429 0.77 RARB (0.43) S1PR1S1PR3FFAR1RARB
SCHEMBL20005209 0.77 MCHR1 (0.36) ACACBRARBACACAKDM1A

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
EP-3299439-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-03-28 EP disclosed