SCHEMBL8775086

SCHEMBL8775086

CCCc1ccc(C#Cc2ccc(C#CC3CCC(CCC)CC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.51
FFAR4 Q5NUL3 2/20 0.46
ACACB O00763 9/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
HRH3 Q9Y5N1 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
PTGES O14684 1/20 0.33
CYP2C9 P11712 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
SCHEMBL9499047 0.94 FFAR1 (0.49) FFAR1FFAR4ACACBMAOAMAOB
SCHEMBL9499043 0.94 FFAR1 (0.49) FFAR1FFAR4ACACBMAOAMAOB
SCHEMBL9499032 0.94 FFAR1 (0.49) FFAR1FFAR4ACACBMAOAMAOB
SCHEMBL9497001 0.94 FFAR1 (0.49) FFAR1FFAR4ACACBMAOAMAOB
SCHEMBL9497009 0.94 FFAR1 (0.49) FFAR1FFAR4ACACBMAOAMAOB
SCHEMBL8775266 0.92 FFAR1 (0.49) FFAR1FFAR4ACACBMAOAMAOB
SCHEMBL8774981 0.90 FFAR1 (0.46) FFAR1FFAR4ACACBMAOAMAOB
SCHEMBL8775279 0.90 FFAR1 (0.52) FFAR1FFAR4ACACBMAOAMAOB
SCHEMBL9855586 0.89 FFAR1 (0.45) FFAR1FFAR4ACACBPTGESCYP2C9
SCHEMBL9499728 0.89 FFAR1 (0.45) FFAR1FFAR4ACACBPTGESCYP2C9

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
CN-1169138-A Novel liquid crystal compound bearing dienyl moiety and liquid crystal composition CHISSO CORP (JP) 1997-12-31 CN disclosed
EP-0805134-A1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-11-05 EP disclosed