Sugi Predict

Sugi Predict / Compounds / SCHEMBL8119700

SCHEMBL8119700

SCHEMBL8119700

Cc1c(C)c2c(c(C)c1O)CC(CC(=O)NCCn1ccc(=O)c(OCc3ccccc3)c1C)O2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAOB P27338 7/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ NPSR1 Q6W5P4 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
SCHEMBL8118001 0.87 HTT (0.50) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8129063 0.87 HTT (0.45) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8129061 0.85 MAOB (0.45) MAOB
SCHEMBL8128347 0.82 HTT (0.43) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8126095 0.79 ACHE (0.48) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL21082340 0.76 HTT (0.61) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL29243860 0.76 HTT (0.65) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8137036 0.75 ALOX5 (0.44) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL21082280 0.74 MEN1 (0.64) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8120463 0.72 TTPA (0.48) 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 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
Send feedback