SCHEMBL8122576

SCHEMBL8122576

COc1cc(CCCn2ccc(=O)c(OCc3ccccc3)c2C)cc(OC)c1O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ NPC1 O15118 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ALOX5 P09917 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40

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
SCHEMBL8122189 0.86 MEN1 (0.62) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8120084 0.85 MEN1 (0.56) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8124815 0.82 APP (0.47) HTTSMN1; SMN2ALOX5KDM4ETP53
SCHEMBL8125037 0.82 HTT (0.55) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8102028 0.80 HTT (0.70) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8108601 0.79 HTT (0.68) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL20382958 0.79 HTT (0.71) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL30669320 0.79 HTT (0.75) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8115513 0.78 MEN1 (0.58) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL9515266 0.78 HTT (0.67) HTTSMN1; SMN2MEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519353-B1 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO (JP) 2000-08-16 — — EP claimed
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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