SCHEMBL20004823

SCHEMBL20004823

CCCc1ccc(-c2ccc(C#Cc3c(C)cc(-c4ccc(-c5ccc(C)cc5F)cc4)cc3F)cc2F)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.32
KDM1A O60341 4/20 0.32
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL20006872 0.96 RARB (0.35) RARBKDM1AFFAR1FFAR4
SCHEMBL19999586 0.92 RARB (0.39) RARBKDM1A
SCHEMBL20004824 0.89 KDM1A (0.35) KDM1AFFAR1FFAR4
SCHEMBL19999549 0.89 RARB (0.45) RARB
SCHEMBL19999468 0.86 RARB (0.32) RARBFFAR1
SCHEMBL19999568 0.86 RARB (0.32) RARB
SCHEMBL20004900 0.83 HRH3 (0.36) RARB
SCHEMBL20006853 0.83 FFAR1 (0.40) RARBFFAR1
SCHEMBL20005209 0.81 MCHR1 (0.36) RARBKDM1A
SCHEMBL19999555 0.80 FFAR1 (0.34) RARBKDM1AFFAR1FFAR4BACE1

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