SCHEMBL17599482

SCHEMBL17599482

CC(C)(C)OC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.46
AAK1 Q2M2I8 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
ADORA2B P29275 2/20 0.33
ALDH1A1 P00352 1/20 0.33
DGAT1 O75907 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM6 O15303 1/20 0.32
F2 P00734 1/20 0.31
F11 P03951 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 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
SCHEMBL1234104 0.84 NPSR1 (0.45) USP30ALDH1A1DGAT1HPGDTSHR
SCHEMBL12784906 0.81 USP30 (0.41) USP30AAK1PRMT5WDR77BACE1
SCHEMBL13053330 0.80 HDAC3 (0.48) ALDH1A1HPGDTSHRMAPK1ATM
SCHEMBL12785064 0.79 LMNA (0.41) USP30ALDH1A1HPGDTSHRL3MBTL1
SCHEMBL823673 0.79 DAO (0.44) USP30HPGDL3MBTL1
SCHEMBL1475922 0.77 F2 (0.43) USP30F2F11PRSS1PRSS2
SCHEMBL29092872 0.77 USP30 (0.36) USP30DGAT1F2F11PRSS1
SCHEMBL4959846 0.76 TSHR (0.32) USP30TSHR
SCHEMBL12784878 0.76 PRMT5 (0.49) USP30AAK1PRMT5WDR77BACE1
SCHEMBL8549434 0.76 TSHR (0.44) ALDH1A1HPGDTSHRMAPK1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2998295-A1 Aryl substituted naphthyl sulfonamide derivatives as keap-1 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders SANOFI (FR) 2016-03-23 EP disclosed
EP-2998295-A1 Aryl substituted naphthyl sulfonamide derivatives as keap-1 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders SANOFI (FR) 2016-03-23 EP disclosed