SCHEMBL8124729

SCHEMBL8124729

Cc1c(C)c2c(c(C)c1O)CCC(C)(Cn1ccc(=O)c(OCc3ccccc3)c1C)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MAPT P10636 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALOX5 P09917 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ HIF1A Q16665 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
SCHEMBL8137036 0.86 ALOX5 (0.44) KMT2AHTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8126095 0.84 ACHE (0.48) KMT2AHTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8116810 0.83 CYP4F2 (0.49) KMT2AMEN1NPSR1MAPTTDP1
SCHEMBL8120463 0.83 TTPA (0.48) KMT2AHTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9060281 0.75 MAPT (0.49) KMT2AMEN1MAPTTDP1ALOX5
SCHEMBL8118001 0.74 HTT (0.50) KMT2AHTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL7843126 0.74 PSEN1 (0.44) KMT2AMEN1MAPTTDP1ALOX5
SCHEMBL11440561 0.74 PSEN1 (0.44) KMT2AMEN1MAPTTDP1ALOX5
SCHEMBL29670864 0.74 PSEN1 (0.44) KMT2AMEN1MAPTTDP1ALOX5
SCHEMBL11440558 0.74 PSEN1 (0.44) KMT2AMEN1MAPTTDP1ALOX5

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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