SCHEMBL27604604

SCHEMBL27604604

CCCCCc1c(CC)cccc1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.47
MCL1 Q07820 3/20 0.47
KAT8 Q9H7Z6 3/20 0.47
PPARA Q07869 3/20 0.47
BCL2L1 Q07817 2/20 0.47
BAK1 Q16611 2/20 0.47
PPARG P37231 2/20 0.47
EP300 Q09472 2/20 0.47
KAT5 Q92993 2/20 0.47
KAT2A Q92830 1/20 0.47
KAT2B Q92831 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
LIPG Q9Y5X9 1/20 0.47
KCNH2 Q12809 2/20 0.47
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
GPR84 Q9NQS5 1/20 0.44
NR1H2 P55055 1/20 0.42

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
SCHEMBL31344526 0.94 LIPG (0.52) BIDMCL1KAT8PPARABCL2L1
SCHEMBL11008588 0.94 LIPG (0.52) BIDMCL1KAT8PPARABCL2L1
SCHEMBL28383703 0.93 GABRA1 (0.46) BIDMCL1KAT8PPARABCL2L1
SCHEMBL8160763 0.92 BID (0.50) BIDMCL1KAT8PPARABCL2L1
SCHEMBL861958 0.88 LIPG (0.53) BIDMCL1KAT8PPARABCL2L1
SCHEMBL11228913 0.88 BID (0.42) BIDMCL1KAT8PPARABCL2L1
SCHEMBL28127304 0.87 ALOX5 (0.51) BIDMCL1KAT8PPARABCL2L1
SCHEMBL9123772 0.86 LIPG (0.57) BIDMCL1KAT8PPARABCL2L1
SCHEMBL4078754 0.86 LIPG (0.57) BIDMCL1KAT8PPARABCL2L1
SCHEMBL7265082 0.86 LIPG (0.57) BIDMCL1KAT8PPARABCL2L1

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-1681470-A Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2005-10-12 CN claimed