SCHEMBL20006851

SCHEMBL20006851

CCCC1CCC(CCc2ccc(-c3ccc(C#Cc4cc(F)ccc4CC)cc3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.37
GPR84 Q9NQS5 1/20 0.37
MAOB P27338 2/20 0.36
ACACB O00763 2/20 0.34
MAOA P21397 1/20 0.33
FFAR4 Q5NUL3 3/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
GRM5 P41594 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL20005195 0.85 GPR84 (0.35) FFAR1GPR84MAOBACACBMAOA
SCHEMBL19999439 0.83 RARB (0.36) FFAR1GPR84MAOBMAOAFFAR4
SCHEMBL28027045 0.78 MAOB (0.48) FFAR1GPR84MAOBACACBMAOA
SCHEMBL8050050 0.77 MAOB (0.44) GPR84MAOBACACBMAOAHRH3
SCHEMBL7510157 0.77 MAOB (0.44) GPR84MAOBACACBMAOAHRH3
SCHEMBL9465586 0.76 FFAR1 (0.43) FFAR1GPR84MAOBACACBMAOA
SCHEMBL7510173 0.75 MAOB (0.52) FFAR1GPR84MAOBACACBMAOA
SCHEMBL8036196 0.75 MAOB (0.52) FFAR1GPR84MAOBACACBMAOA
SCHEMBL17083206 0.74 CYP17A1 (0.42) GPR84MAOBMAOAFFAR4HRH3
SCHEMBL10899249 0.74 MAOB (0.47) GPR84MAOBMAOAHRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208249-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-02-19 US disclosed
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed