SCHEMBL8122189

SCHEMBL8122189

COc1cc(CCn2ccc(=O)c(OCc3ccccc3)c2C)cc(OC)c1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ HTT P42858 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ HPGD P15428 1/20 0.62
▸ NPC1 O15118 1/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.57
▸ MCHR1 Q99705 1/20 0.43
▸ MAPK14 Q16539 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL30669320 0.88 HTT (0.75) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8122576 0.86 HTT (0.57) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3358414 0.81 HTT (0.71) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8115513 0.81 MEN1 (0.58) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3358984 0.80 HTT (0.75) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL16882316 0.79 SMN1; SMN2 (0.73) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8122829 0.79 HTT (0.73) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3357703 0.79 HTT (0.73) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL20382958 0.78 HTT (0.71) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3354717 0.78 HTT (0.71) MEN1KMT2AHTTSMN1; SMN2ALDH1A1

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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