SCHEMBL8137036

SCHEMBL8137036

Cc1c(C)c2c(c(C)c1O)CCC(C)(CNC(=O)CCn1ccc(=O)c(OCc3ccccc3)c1C)O2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 5/20 0.44
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAOB P27338 2/20 0.39

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
SCHEMBL8124729 0.86 KMT2A (0.49) ALOX5HTTMEN1KMT2ASMN1; SMN2
SCHEMBL8130061 0.86 CYP4F2 (0.42) ALOX5MEN1KMT2AMAPTTDP1
SCHEMBL8126095 0.85 ACHE (0.48) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8120463 0.81 TTPA (0.48) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8119700 0.75 HTT (0.44) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8102334 0.73 HTT (0.59) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8118001 0.72 HTT (0.50) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8128347 0.71 HTT (0.43) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8106191 0.70 HTT (0.70) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8135288 0.70 PSEN1 (0.41) ALOX5HTTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006108-A1 3-Hydroxy-2(1H)-pyridinone or 3-hydroxy-4(1H)-pyridinone derivatives useful as reactive oxygen species (ROS) scavengers Cerebrus Pharmaceuticals Limited (GB) 2000-06-07 — — EP disclosed
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