SCHEMBL16606641

SCHEMBL16606641

Oc1ccc(CCBBCCc2ccc(O)c(O)c2)cc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.71
KDM4E B2RXH2 3/20 0.71
ALDH1A1 P00352 2/20 0.71
GAA P10253 2/20 0.71
ALOX5 P09917 1/20 0.71
BACE1 P56817 1/20 0.71
ALOX15 P16050 6/20 0.67
IGF1R P08069 4/20 0.67
MAPK1 P28482 3/20 0.61
DRD2 P14416 3/20 0.61
DRD1 P21728 3/20 0.61
DRD4 P21917 3/20 0.61
DRD5 P21918 3/20 0.61
DRD3 P35462 3/20 0.61
HIF1A Q16665 3/20 0.61
HSD17B10 Q99714 3/20 0.61
ADRA2A P08913 2/20 0.61
SLC6A2 P23975 2/20 0.61
RECQL P46063 2/20 0.61
SLC6A3 Q01959 2/20 0.61

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
SCHEMBL107956 0.85 ALOX15 (0.80) MAPTKDM4EALDH1A1GAAALOX5
SCHEMBL30631592 0.85 ALOX15 (0.80) MAPTKDM4EALDH1A1GAAALOX5
Hydroxytyrosol SCHEMBL29414541 0.83 MAPT (1.00) MAPTKDM4EALDH1A1GAAALOX5
Hydroxytyrosol SCHEMBL44363 0.83 MAPT (1.00) MAPTKDM4EALDH1A1GAAALOX5
SCHEMBL8431254 0.82 ALOX15 (0.76) MAPTKDM4EALDH1A1GAAALOX5
SCHEMBL2307446 0.80 ALOX15 (1.00) MAPTKDM4EALDH1A1GAAALOX5
SCHEMBL107170 0.80 ALOX15 (0.90) MAPTKDM4EALDH1A1GAAALOX5
SCHEMBL31556189 0.78 ALOX15 (0.95) MAPTKDM4EALDH1A1GAAALOX5
SCHEMBL15387372 0.78 CA1 (0.85) MAPTKDM4EALDH1A1GAAALOX5
SCHEMBL31556198 0.78 ALOX15 (0.95) MAPTKDM4EALDH1A1GAAALOX5

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-2015044470-A1 NOVEL ANTI-INFLAMMATORY AGENTS BASED ON POLYPHENOLS OF THE OLIVE TREE UNVIERSIDAD DE SEVILLA (ES) 2015-04-02 WO disclosed