SCHEMBL29070930

SCHEMBL29070930

CCCCCc1cccc(CN)c1CCCCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.46
LIPG Q9Y5X9 1/20 0.46
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
KCNH2 Q12809 2/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL10349302 0.98 LIPG (0.49) TLR8LIPGALOX5PTGS2BID
SCHEMBL10349118 0.98 LIPG (0.49) TLR8LIPGALOX5PTGS2BID
SCHEMBL10800343 0.94 TLR8 (0.40) TLR8LIPGALOX5PTGS2BID
SCHEMBL9247277 0.91 LIPG (0.49) TLR8LIPGALOX5PTGS2BID
SCHEMBL861958 0.90 LIPG (0.53) LIPGALOX5PTGS2BIDMCL1
SCHEMBL28830285 0.88 LIPG (0.48) TLR8LIPGALOX5PTGS2BID
SCHEMBL5675055 0.88 LIPG (0.57) LIPGALOX5PTGS2BIDMCL1
SCHEMBL7799663 0.88 LIPG (0.57) LIPGALOX5PTGS2BIDMCL1
SCHEMBL11341318 0.88 LIPG (0.57) LIPGALOX5PTGS2BIDMCL1
SCHEMBL4078754 0.88 LIPG (0.57) LIPGALOX5PTGS2BIDMCL1

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-116332777-A Diaryl benzyl methylamine compound, preparation and application as carrier in synthesizing polypeptide 华中科技大学 2023-06-27 CN disclosed