SCHEMBL30669308

SCHEMBL30669308

CCCCC#Cc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
TSHR P16473 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
PGK1 P00558 1/20 0.31
HMGCR P04035 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL2835217 0.83 TNK2 (0.36) HMGCR
SCHEMBL2830195 0.70 KCNH2 (0.44) KCNH2TSHR
SCHEMBL8591678 0.70 GPR84 (0.35) KCNH2TSHRADORA3TLR8HMGCR
SCHEMBL28739769 0.68 FFAR1 (0.46) KCNH2
SCHEMBL55033 0.68 TSHR (0.53) TSHRHMGCR
SCHEMBL15287825 0.67 KCNH2 (0.39) KCNH2ADORA3TLR7PGK1GPR84
SCHEMBL5886588 0.67 FFAR1 (0.53) KCNH2
SCHEMBL16424871 0.67 KCNH2 (0.46) KCNH2TSHRHMGCRGPR84
SCHEMBL2233697 0.67 KCNH2 (0.46) KCNH2TSHRHMGCRGPR84
SCHEMBL8846653 0.65 FFAR1 (0.51) KCNH2

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
CN-117105761-A Preparation method of 3, 3-disubstituted-1-indenone compound 湖南师范大学 2023-11-24 CN disclosed