Sugi Predict

Sugi Predict / Compounds / SCHEMBL9048231

SCHEMBL9048231

SCHEMBL9048231

CCCC=Cc1ccc(C#CC#Cc2ccc(C=CCCC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.37
▸ TNNC1 P63316 1/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ SIGMAR1 Q99720 2/20 0.32
▸ RELA Q04206 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.31
▸ AHR P35869 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
SCHEMBL9048225 1.00 FFAR1 (0.37) FFAR1TNNC1KCNH2SIGMAR1RELA
SCHEMBL8622908 0.92 FFAR1 (0.43) FFAR1TNNC1KCNH2SIGMAR1RELA
SCHEMBL8622912 0.92 FFAR1 (0.43) FFAR1TNNC1KCNH2SIGMAR1RELA
SCHEMBL8620908 0.84 NFE2L2 (0.41) FFAR1
SCHEMBL8620912 0.84 NFE2L2 (0.41) FFAR1
SCHEMBL8623756 0.84 CHRNA7 (0.38) FFAR1
SCHEMBL8623117 0.84 CYP2A6 (0.41) FFAR1
SCHEMBL8623754 0.84 CHRNA7 (0.38) FFAR1
SCHEMBL8623114 0.84 CYP2A6 (0.41) FFAR1
SCHEMBL8623639 0.82 TNNC1 (0.42) FFAR1TNNC1

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
JP-8133996-A — — None — — JP disclosed
JP-H08133996-A DIACETYLENE COMPOUND, ITS PRODUCTION, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AS ACTIVE COMPONENT AND LIQUID CRYSTAL ELEMENT USING THE SAME SUMITOMO CHEM CO LTD 1996-05-28 — — JP disclosed