SCHEMBL20005273

SCHEMBL20005273

CCCOc1ccc(-c2ccc(CCc3ccc(-c4cc(C)c(C#Cc5ccc(C)cc5)cc4F)cc3)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.43
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
FFAR1 O14842 5/20 0.37
FFAR4 Q5NUL3 3/20 0.37
C3AR1 Q16581 1/20 0.37
ACACA Q13085 1/20 0.35

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
SCHEMBL20005210 0.91 ACACB (0.42) ACACBFFAR1FFAR4ACACA
SCHEMBL19999414 0.90 ACACB (0.45) ACACBS1PR1S1PR3FFAR1FFAR4
SCHEMBL20005228 0.85 FFAR1 (0.43) ACACBS1PR1FFAR1FFAR4
SCHEMBL20005225 0.85 FFAR1 (0.46) S1PR1FFAR1FFAR4
SCHEMBL19999625 0.84 FFAR1 (0.43) ACACBS1PR1FFAR1FFAR4
SCHEMBL20006883 0.84 FFAR1 (0.42) ACACBS1PR1FFAR1FFAR4
SCHEMBL20004870 0.84 FFAR1 (0.45) S1PR1FFAR1FFAR4
SCHEMBL19999454 0.83 FFAR1 (0.43) ACACBS1PR1FFAR1FFAR4
SCHEMBL20006750 0.83 RARB (0.42) S1PR1S1PR3FFAR1
SCHEMBL19999450 0.81 S1PR1 (0.40) ACACBS1PR1S1PR3FFAR1FFAR4

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