SCHEMBL28967230

SCHEMBL28967230

CC(C)(CC(CCC(N)=O)c1nc2ccccc2s1)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.44
▸ PKM P14618 1/20 0.42
▸ LMNA P02545 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ APEX1 P27695 1/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ RAB9A P51151 6/20 0.39
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ HTT P42858 4/20 0.39
▸ ATM Q13315 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL23833148 0.78 ALOX5 (0.47) ALOX5PKMALDH1A1LOXL2APEX1
SCHEMBL23833005 0.74 ALOX5 (0.52) ALOX5PKMALDH1A1LOXL2APEX1
SCHEMBL30416339 0.74 ALOX5 (0.52) ALOX5PKMALDH1A1LOXL2APEX1
SCHEMBL23832973 0.73 HDAC3 (0.48) ALOX5PKMLMNAL3MBTL1ALDH1A1
SCHEMBL29217750 0.73 ALOX5 (0.47) ALOX5PKML3MBTL1ALDH1A1LOXL2
SCHEMBL23833139 0.73 HDAC3 (0.48) ALOX5PKMLMNAL3MBTL1ALDH1A1
SCHEMBL23832970 0.73 HDAC3 (0.48) ALOX5PKMLMNAL3MBTL1ALDH1A1
SCHEMBL5320260 0.72 ALOX5 (0.48) ALOX5PKMLMNAALDH1A1LOXL2
Trifluoroacetic Acid SCHEMBL30193192 0.72 ALOX5 (0.45) ALOX5PKMALDH1A1LOXL2APEX1
SCHEMBL28847210 0.71 HPGD (0.52) ALOX5PKMLMNAALDH1A1LOXL2

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
CN-115776891-A STAT degradants and uses thereof 凯麦拉医疗公司 2023-03-10 — — CN disclosed
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