SCHEMBL27604653

SCHEMBL27604653

CCCCCc1cccc(Br)c1CN

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
TLR8 Q9NR97 7/20 0.40
TAAR1 Q96RJ0 1/20 0.40
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL28830285 0.87 LIPG (0.48) LIPGALOX5PTGS2TLR8BID
SCHEMBL22748363 0.84 LIPG (0.47) LIPGALOX5PTGS2BIDMCL1
SCHEMBL9247277 0.82 LIPG (0.49) LIPGALOX5PTGS2TLR8BID
SCHEMBL29070930 0.80 TLR8 (0.46) LIPGALOX5PTGS2TLR8BID
SCHEMBL28757885 0.80 ALOX5 (0.41) LIPGALOX5PTGS2TAAR1BID
SCHEMBL31737453 0.79 BID (0.54) LIPGALOX5PTGS2BIDMCL1
SCHEMBL31737880 0.79 LIPG (0.42) LIPGALOX5PTGS2BIDMCL1
SCHEMBL10349118 0.79 LIPG (0.49) LIPGALOX5PTGS2TLR8BID
SCHEMBL10349302 0.79 LIPG (0.49) LIPGALOX5PTGS2TLR8BID
SCHEMBL31737729 0.78 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1674897-A Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as HPPAR activators SMITHKLINE BEECHAM CORP (US) 2005-09-28 CN disclosed