SCHEMBL8533154

SCHEMBL8533154

COC(=O)[C@@](C)(N(C)S(=O)(=O)c1ccc2c(c1)CCCO2)C(C)(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
TRIM24 O15164 1/20 0.39
BRD1 O95696 1/20 0.39
BRPF1 P55201 1/20 0.39
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 3/20 0.37
PKM P14618 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKLR P30613 1/20 0.35

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
SCHEMBL8533151 0.92 KEAP1 (0.47) KEAP1NFE2L2TRIM24BRD1BRPF1
SCHEMBL7262682 0.75 KEAP1 (0.43) KEAP1NFE2L2TRIM24BRD1BRPF1
SCHEMBL3776295 0.74 KEAP1 (0.54) KEAP1NFE2L2TRIM24BRD1BRPF1
SCHEMBL27228693 0.69 MMP2 (0.44) KEAP1NFE2L2MMP2MMP13L3MBTL1
SCHEMBL4297055 0.69 MMP2 (0.44) KEAP1NFE2L2MMP2MMP13L3MBTL1
SCHEMBL12355594 0.67 ALDH1A1 (0.56) KEAP1NFE2L2ALDH1A1HTTSMN1; SMN2
SCHEMBL6307961 0.67 KEAP1 (0.51) KEAP1NFE2L2TRIM24BRD1BRPF1
SCHEMBL12596097 0.67 TRIM24 (0.51) KEAP1NFE2L2TRIM24BRD1BRPF1
SCHEMBL12355592 0.67 MEP1B (0.46) KEAP1NFE2L2TRIM24BRD1BRPF1
SCHEMBL29156174 0.66 PKM (0.54) KEAP1NFE2L2MMP2MMP13L3MBTL1

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
US-5831001-A ADMINISTERING OLIGOPEPTIDE WITH ARGININE UNITS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1998-11-03 US disclosed