SCHEMBL8127562

SCHEMBL8127562

Cc1c(O)c(=O)ccn1CCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM6A O15550 1/20 0.41
▸ KDM4A O75164 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41
▸ DOHH Q9BU89 1/20 0.41
▸ KDM2A Q9Y2K7 1/20 0.41
▸ GAA P10253 4/20 0.41
▸ MAOB P27338 5/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8121689 0.96 APP (0.47) APPHRH3KDM4ECYP2D6TP53
SCHEMBL8128029 0.91 KDM4E (0.49) APPHRH3KDM4ECYP2D6TP53
SCHEMBL8124088 0.91 APP (0.43) APPHRH3KDM4ECYP2D6TP53
SCHEMBL8122410 0.86 KDM4E (0.41) APPHRH3KDM4ECYP2D6TP53
SCHEMBL8128215 0.85 KDM4E (0.44) APPHRH3KDM4ECYP2D6TP53
SCHEMBL8128163 0.84 GAA (0.51) KDM4ECYP2D6TP53HTTSMN1; SMN2
SCHEMBL8125037 0.82 HTT (0.55) KDM4ECYP2D6TP53HTTSMN1; SMN2
SCHEMBL8124094 0.80 GAA (0.35) APPHRH3KDM4ECYP2D6TP53
Hydrochloric Acid SCHEMBL8136802 0.80 GSR (0.53) APPHRH3KDM4ECYP2D6TP53
SCHEMBL9513592 0.79 APP (0.61) APPHRH3KDM4ECYP2D6TP53

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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