SCHEMBL8596017

SCHEMBL8596017

CCCCCCCCCc1ccc(O)c(CN(CC(=O)O)Cc2cc(CCCCCCCCC)ccc2O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 3/20 0.58
PPARA Q07869 3/20 0.55
BCHE P06276 1/20 0.48
ALDH1A1 P00352 2/20 0.48
EP300 Q09472 1/20 0.46
KAT5 Q92993 1/20 0.46
PPARG P37231 2/20 0.45
STAT3 P40763 1/20 0.45
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 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
SCHEMBL29634826 0.88 KAT8 (0.57) KAT8PPARABCHEALDH1A1EP300
SCHEMBL30624 0.88 KAT8 (0.57) KAT8PPARABCHEALDH1A1EP300
SCHEMBL28055831 0.87 KAT8 (0.56) KAT8PPARABCHEALDH1A1EP300
SCHEMBL2005845 0.87 KAT8 (0.56) KAT8PPARABCHEALDH1A1EP300
SCHEMBL22131080 0.85 FOLH1 (0.52) KAT8PPARAALDH1A1CYP3A4HSD17B10
SCHEMBL2793289 0.83 ALOX5 (0.48) KAT8KDM4ECYP3A4HIF1AHSD17B10
SCHEMBL1024195 0.82 KAT8 (0.61) KAT8PPARAALDH1A1ESR1ADRA2A
SCHEMBL1022113 0.82 KAT8 (0.61) KAT8PPARAALDH1A1ESR1ADRA2A
SCHEMBL11783346 0.82 KAT8 (0.61) KAT8PPARAALDH1A1ESR1ADRA2A
SCHEMBL6212332 0.82 KAT8 (0.61) KAT8PPARAALDH1A1ESR1ADRA2A

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
WO-1998053893-A1 EXTRACTION AGENTS AND METHOD FOR USE THEREOF HAMPSHIRE CHEMICAL AB (SE) 1998-12-03 WO disclosed