SCHEMBL20730239

SCHEMBL20730239

COC(=O)CCC(=O)OCCc1ccc(O)c(O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.77
YWHAG P61981 1/20 0.68
ALOX5 P09917 3/20 0.52
MET P08581 3/20 0.50
IAPP P10997 3/20 0.50
MAPT P10636 2/20 0.49
HIF1A Q16665 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
PTGS1 P23219 1/20 0.49
BLM P54132 1/20 0.49
AKR1B1 P15121 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL7568170 0.87 APP (1.00) APPYWHAGALOX5METIAPP
Hydroxytyrosol Butanoate SCHEMBL31729490 0.86 APP (0.79) APPYWHAGALOX5METIAPP
Hydroxytyrosol Butanoate SCHEMBL17299395 0.86 APP (0.79) APPYWHAGALOX5METIAPP
SCHEMBL28150655 0.86 APP (0.84) APPYWHAGALOX5METIAPP
SCHEMBL3274537 0.85 APP (0.68) APPYWHAGALOX5IAPPMAPT
SCHEMBL18898045 0.84 APP (0.75) APPYWHAGALOX5IAPPMAPT
SCHEMBL23088822 0.83 APP (0.69) APPYWHAGALOX5METIAPP
SCHEMBL12300533 0.83 APP (0.78) APPYWHAGALOX5METLMNA
SCHEMBL15760492 0.83 APP (0.73) APPYWHAGALOX5METIAPP
SCHEMBL12246761 0.82 APP (0.83) APPYWHAGALOX5METIAPP

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-2019033010-A1 USE OF PHENOLIC COMPOUNDS FROM OLEA EUROPAEA MCCORD DARLENE E (US) 2019-02-14 WO disclosed