SCHEMBL8124815

SCHEMBL8124815

COc1cc(CCCn2ccc(=O)c(O)c2C)cc(OC)c1O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAOB P27338 7/20 0.45
▸ TNKS2 Q9H2K2 2/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ ALOX5 P09917 2/20 0.42
▸ KDM6A O15550 1/20 0.42
▸ KDM4A O75164 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KDM5C P41229 1/20 0.42
▸ KDM2B Q8NHM5 1/20 0.42
▸ DOHH Q9BU89 1/20 0.42
▸ KDM2A Q9Y2K7 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
SCHEMBL8126192 0.92 KDM4E (0.49) APPHRH3KDM4ETP53CYP2D6
SCHEMBL8122576 0.82 HTT (0.57) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL8121689 0.80 APP (0.47) APPHRH3KDM4ETP53CYP2D6
SCHEMBL10359200 0.77 APP (0.61) APPHRH3KDM4ETP53CYP2D6
SCHEMBL9513592 0.77 APP (0.61) APPHRH3KDM4ETP53CYP2D6
SCHEMBL9386911 0.76 APP (0.54) APPHRH3KDM4ETP53CYP2D6
SCHEMBL8127562 0.76 APP (0.46) APPHRH3KDM4ETP53CYP2D6
SCHEMBL8124088 0.75 APP (0.43) APPHRH3KDM4ETP53CYP2D6
SCHEMBL5136933 0.74 APP (0.58) APPHRH3KDM4ETP53CYP2D6
SCHEMBL7152347 0.74 APP (0.58) APPHRH3KDM4ETP53CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027335-A1 ORTHO-HYDROXYPYRIDINONE DERIVATIVES AS IRON CHELATING AND ANTIOXIDANT AGENTS Cerebrus Pharmaceuticals Limited (GB) 2000-08-16 — — EP disclosed
WO-1999023075-A1 ORTHO-HYDROXYPYRIDINONE DERIVATIVES AS IRON CHELATING AND ANTIOXIDANT AGENTS CEREBRUS PHARMACEUTICALS LIMITED (GB) 1999-05-14 — — WO disclosed
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