SCHEMBL28830285

SCHEMBL28830285

CCCCCc1cccc(CCCCC)c1CN

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.48
ALOX5 P09917 1/20 0.47
PTGS2 P35354 1/20 0.47
TLR8 Q9NR97 7/20 0.45
BID P55957 3/20 0.45
MCL1 Q07820 3/20 0.45
BCL2L1 Q07817 2/20 0.45
BAK1 Q16611 2/20 0.45
KAT8 Q9H7Z6 2/20 0.45
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
EP300 Q09472 1/20 0.45
KAT2A Q92830 1/20 0.45
KAT2B Q92831 1/20 0.45
KAT5 Q92993 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
KCNH2 Q12809 2/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL9247277 0.94 LIPG (0.49) LIPGALOX5PTGS2TLR8BID
SCHEMBL29070930 0.88 TLR8 (0.46) LIPGALOX5PTGS2TLR8BID
SCHEMBL27604653 0.87 LIPG (0.42) LIPGALOX5PTGS2TLR8BID
SCHEMBL31737453 0.87 BID (0.54) LIPGALOX5PTGS2BIDMCL1
SCHEMBL10349118 0.86 LIPG (0.49) LIPGALOX5PTGS2TLR8BID
SCHEMBL10349302 0.86 LIPG (0.49) LIPGALOX5PTGS2TLR8BID
SCHEMBL31737946 0.86 BID (0.56) LIPGALOX5PTGS2BIDMCL1
SCHEMBL31737729 0.86 BID (0.56) LIPGALOX5PTGS2BIDMCL1
SCHEMBL31737672 0.86 BID (0.56) LIPGALOX5PTGS2BIDMCL1
SCHEMBL31737300 0.86 BID (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105669486-B A kind of preparation method and applications of the diaryl benzyl amine derivative of N acyl groups 2,6 嘉兴学院 2017-12-05 CN claimed
CN-105669486-A Preparation method of N-acyl-2,6-diarylbenzylamine derivative and application thereof 嘉兴学院 2016-06-15 CN claimed
CN-105669486-B A kind of preparation method and applications of the diaryl benzyl amine derivative of N acyl groups 2,6 嘉兴学院 2017-12-05 CN disclosed
CN-105669486-A Preparation method of N-acyl-2,6-diarylbenzylamine derivative and application thereof 嘉兴学院 2016-06-15 CN disclosed