SCHEMBL29317753

SCHEMBL29317753

CC(C)OC(C)(C)C(=O)NS(=O)(=O)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 3/20 0.46
CTNNB1 P35222 3/20 0.46
KAT6A Q92794 2/20 0.44
TRIM24 O15164 1/20 0.43
MAPT P10636 1/20 0.43
PGR P06401 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
ADAMTS4 O75173 1/20 0.42
ACLY P53396 1/20 0.42
PPARA Q07869 1/20 0.41
NR3C1 P04150 1/20 0.41
BRD1 O95696 1/20 0.40
BRPF1 P55201 1/20 0.40
CRBN Q96SW2 1/20 0.40
FBP1 P09467 1/20 0.40
S1PR1 P21453 1/20 0.39
TBXA2R P21731 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39

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
SCHEMBL29317687 0.85 MMP13 (0.47) BCL9CTNNB1ADAMTS4PPARABRPF1
SCHEMBL19006934 0.83 KAT6A (0.50) KAT6ATRIM24MAPTPGRRXFP1
SCHEMBL29317752 0.81 F2 (0.45) KAT6APPARAFBP1
SCHEMBL29317750 0.81 PPARA (0.43) KAT6AMAPTPGRPPARA
SCHEMBL29317683 0.81 PPARA (0.59) MAPTPPARA
SCHEMBL29317756 0.81 FLT1 (0.50) KAT6AMAPTPGRPPARA
SCHEMBL29317754 0.77 LARS1 (0.53) KAT6AMAPTPPARA
SCHEMBL17127741 0.76 KAT6A (0.53) KAT6ATRIM24MAPTPGRRXFP1
SCHEMBL29317764 0.74 PPARA (0.45) ADAMTS4PPARA
SCHEMBL29321248 0.73 CA1 (0.48) PPARA

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