SCHEMBL20004614

SCHEMBL20004614

CCCCOc1cc(F)c(C#Cc2ccc(-c3ccc(-c4ccc(C)cc4)cc3F)cc2)c(CC)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.41
RARA P10276 1/20 0.41
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
CYP2C9 P11712 5/20 0.36
MOGAT2 Q3SYC2 5/20 0.36
FFAR4 Q5NUL3 4/20 0.35
FFAR1 O14842 3/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MCHR1 Q99705 1/20 0.34
MCL1 Q07820 1/20 0.34
MGAT2 Q10469 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33

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 0.94 S1PR1 (0.37) RARBRARAS1PR1S1PR3CYP2C9
SCHEMBL19999622 0.92 RARA (0.38) RARBRARAFFAR4FFAR1MCHR1
SCHEMBL20005281 0.85 RARA (0.40) RARBRARAMCHR1ACACBACACA
SCHEMBL20004683 0.83 ACACB (0.39) RARBS1PR1S1PR3FFAR4FFAR1
SCHEMBL20004768 0.81 RARB (0.45) RARBRARACYP2C9FFAR4FFAR1
SCHEMBL20004754 0.80 ACACB (0.40) RARBRARACYP2D6ACACB
SCHEMBL19999429 0.80 RARB (0.43) RARBRARAS1PR1S1PR3FFAR1
SCHEMBL19999455 0.80 NPC1 (0.40) FFAR4FFAR1MCHR1ACACB
SCHEMBL20005209 0.79 MCHR1 (0.36) RARBRARAMCHR1ACACBACACA
SCHEMBL20004756 0.79 ACACB (0.43) RARBRARAS1PR1S1PR3FFAR1

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