SCHEMBL20005195

SCHEMBL20005195

CCCC1CCC(CCc2ccc(-c3ccc(C#Cc4cc(F)c(C)cc4CC)cc3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 11/20 0.35
FFAR4 Q5NUL3 3/20 0.32
MAOB P27338 3/20 0.32
CHRM2 P08172 1/20 0.32
S1PR1 P21453 1/20 0.32
FPR1 P21462 1/20 0.32
FPR3 P25089 1/20 0.32
GPR183 P32249 1/20 0.32
APLNR P35414 1/20 0.32
GPR65 Q8IYL9 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MAOA P21397 1/20 0.32
ACACB O00763 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
LDHA P00338 1/20 0.31

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
SCHEMBL19999439 0.87 RARB (0.36) GPR84FFAR1FFAR4MAOBMAOA
SCHEMBL19999397 0.85 FFAR1 (0.40) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL20006851 0.85 FFAR1 (0.37) GPR84FFAR1FFAR4MAOBMAOA
SCHEMBL9465586 0.77 FFAR1 (0.43) GPR84FFAR1FFAR4MAOBSLC6A2
SCHEMBL28027045 0.76 MAOB (0.48) GPR84FFAR1MAOBMAOAACACB
SCHEMBL7510157 0.75 MAOB (0.44) GPR84MAOBMAOAACACBHRH3
SCHEMBL8050050 0.75 MAOB (0.44) GPR84MAOBMAOAACACBHRH3
SCHEMBL9512407 0.74 MAOB (0.50) GPR84FFAR1MAOBMAOAACACB
SCHEMBL8036196 0.74 MAOB (0.52) GPR84FFAR1MAOBMAOAACACB
SCHEMBL7510173 0.74 MAOB (0.52) GPR84FFAR1MAOBMAOAACACB

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