SCHEMBL29319669

SCHEMBL29319669

CC(C)c1ccc(CC(=O)N2CCCC(c3cccc(CC(C)(C)C=O)c3)C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.66
BCL9 O00512 11/20 0.51
CTNNB1 P35222 11/20 0.51
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 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
SCHEMBL29319693 0.84 BCL9 (0.54) PPARABCL9CTNNB1ALDH1A1RAB9A
SCHEMBL27634943 0.83 PPARA (0.69) PPARABCL9CTNNB1ALDH1A1POLB
SCHEMBL27634993 0.83 PPARA (0.69) PPARABCL9CTNNB1ALDH1A1POLB
SCHEMBL27616063 0.83 PPARA (0.69) PPARABCL9CTNNB1ALDH1A1POLB
SCHEMBL4029011 0.79 PPARA (1.00) PPARABCL9CTNNB1
SCHEMBL4030088 0.79 PPARA (1.00) PPARABCL9CTNNB1
SCHEMBL30498765 0.79 PPARA (1.00) PPARABCL9CTNNB1
SCHEMBL4030653 0.79 PPARA (1.00) PPARABCL9CTNNB1
SCHEMBL29402050 0.79 PPARA (1.00) PPARABCL9CTNNB1
SCHEMBL4028658 0.77 PPARA (0.75) PPARABCL9CTNNB1ALDH1A1POLB

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