SCHEMBL8774981

SCHEMBL8774981

CCCC1CCC(C#Cc2ccc(C#Cc3ccc(CC)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.46
FFAR4 Q5NUL3 2/20 0.40
CYP2A6 P11509 1/20 0.37
ACACB O00763 7/20 0.35
PTGES O14684 1/20 0.33
RET P07949 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL8753541 0.94 FFAR1 (0.43) FFAR1FFAR4CYP2A6ACACBPTGES
SCHEMBL8753558 0.94 FFAR1 (0.43) FFAR1FFAR4CYP2A6ACACBPTGES
SCHEMBL8753548 0.94 FFAR1 (0.43) FFAR1FFAR4CYP2A6ACACBPTGES
SCHEMBL9499728 0.91 FFAR1 (0.45) FFAR1FFAR4ACACBPTGESCYP2C9
SCHEMBL9855586 0.91 FFAR1 (0.45) FFAR1FFAR4ACACBPTGESCYP2C9
SCHEMBL8775086 0.90 FFAR1 (0.51) FFAR1FFAR4ACACBPTGESCYP2C9
SCHEMBL8775478 0.88 FFAR1 (0.48) FFAR1FFAR4CYP2A6ACACBPTGES
SCHEMBL8775266 0.87 FFAR1 (0.49) FFAR1FFAR4ACACBPTGESMAOA
SCHEMBL8448931 0.85 FFAR1 (0.35) FFAR1FFAR4CYP2A6ACACBRET
SCHEMBL24718015 0.84 FFAR1 (0.41) 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