SCHEMBL29317754

SCHEMBL29317754

CC(C)OC(C)(C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 1/20 0.53
NLRP3 Q96P20 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
RAPGEF3 O95398 1/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PPARA Q07869 1/20 0.46
KAT6A Q92794 4/20 0.46
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL29317683 0.84 PPARA (0.59) LARS1LMNAGAASMN1; SMN2PPARA
SCHEMBL17943496 0.82 L3MBTL1 (0.58) LARS1NLRP3L3MBTL1RAPGEF3ALDH1A1
SCHEMBL29317756 0.81 FLT1 (0.50) L3MBTL1ALDH1A1LMNAGAAPPARA
SCHEMBL29317748 0.80 MMP2 (0.50) ALDH1A1LMNASMN1; SMN2PPARASLC1A3
SCHEMBL29317764 0.80 PPARA (0.45) ALDH1A1LMNAGAASMN1; SMN2PPARA
SCHEMBL29317750 0.80 PPARA (0.43) LMNAGAASMN1; SMN2PPARAKAT6A
SCHEMBL29317752 0.80 F2 (0.45) LARS1ALDH1A1LMNAPPARAKAT6A
SCHEMBL29321248 0.79 CA1 (0.48) L3MBTL1ALDH1A1GAASMN1; SMN2PPARA
SCHEMBL15219093 0.79 RAB9A (0.54) L3MBTL1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL3469824 0.77 F2 (0.56) LARS1NLRP3L3MBTL1RAPGEF3ALDH1A1

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
WO-2024145931-A1 SMALL MOLECULE INHIBITOR FOR β-CATENIN/BCL9 PROTEIN-PROTEIN INTERACTION AND USE THEREOF 上海医药工业研究院有限公司 2024-07-11 WO disclosed