SCHEMBL28040356

SCHEMBL28040356

CCCCC1=C[C]([Si](c2cccc(CN)c2)(c2cccc(CN)c2)c2cccc(CN)c2)C=C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.36
TLR7 Q9NYK1 5/20 0.36
XIAP P98170 1/20 0.34
LPL P06858 2/20 0.32
LIPG Q9Y5X9 2/20 0.32
PNMT P11086 1/20 0.32
ENPP2 Q13822 1/20 0.32
SKP2 Q13309 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
SCHEMBL28040417 0.92 PNMT (0.33) TLR8TLR7PNMTENPP2
SCHEMBL27886277 0.80 HSD11B1 (0.33) TLR8LIPG
SCHEMBL28040464 0.79 CTSS (0.33)
SCHEMBL28040817 0.77 NPC1 (0.32) XIAP
SCHEMBL28040769 0.77 NOS1 (0.37) PNMTENPP2
SCHEMBL28808177 0.76 CA2 (0.39) LPLLIPGSKP2
SCHEMBL28040833 0.75 PNMT (0.35) PNMTENPP2
SCHEMBL28040799 0.75 PTGS2 (0.40) LPLLIPG
SCHEMBL28040497 0.74 PNMT (0.34) PNMTENPP2
SCHEMBL28040378 0.74 TLR8 (0.36) TLR8TLR7PNMTENPP2

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-102666561-B Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-11-25 CN disclosed