SCHEMBL8130151

SCHEMBL8130151

Cc1c(OCc2ccccc2)c(=O)ccn1CCOCCOCCOCCOCCCc1cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPC1 O15118 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MAOB P27338 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL8127648 1.00 MEN1 (0.45) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8129094 0.95 MEN1 (0.48) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8129379 0.95 MEN1 (0.48) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8129383 0.92 MEN1 (0.48) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8129095 0.92 MEN1 (0.48) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8136676 0.86 KDM4E (0.34) HTTSMN1; SMN2MAOB
SCHEMBL8135902 0.86 KDM4E (0.34) HTTSMN1; SMN2MAOB
SCHEMBL8137717 0.80 KDM4E (0.37) HTTSMN1; SMN2MAOB
SCHEMBL8120084 0.78 MEN1 (0.56) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8137718 0.78 KDM4E (0.38) HTTSMN1; SMN2MAOB

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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