SCHEMBL29322350

SCHEMBL29322350

CC(C)c1ccc(CC(=O)N2CCC[C@@H](c3cccc(OCC(=O)C4CO4)c3)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.67
BCL9 O00512 12/20 0.52
CTNNB1 P35222 12/20 0.52
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 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
SCHEMBL4027306 0.89 PPARA (0.75) PPARABCL9CTNNB1ALDH1A1RAB9A
SCHEMBL4028658 0.89 PPARA (0.75) PPARABCL9CTNNB1ALDH1A1RAB9A
SCHEMBL4032456 0.89 PPARA (0.75) PPARABCL9CTNNB1ALDH1A1RAB9A
SCHEMBL29402050 0.80 PPARA (1.00) PPARABCL9CTNNB1
SCHEMBL4030653 0.80 PPARA (1.00) PPARABCL9CTNNB1
SCHEMBL30498765 0.80 PPARA (1.00) PPARABCL9CTNNB1
SCHEMBL4030088 0.80 PPARA (1.00) PPARABCL9CTNNB1
SCHEMBL4029011 0.80 PPARA (1.00) PPARABCL9CTNNB1
SCHEMBL27634993 0.80 PPARA (0.69) PPARABCL9CTNNB1ALDH1A1RAB9A
SCHEMBL27616063 0.80 PPARA (0.69) PPARABCL9CTNNB1ALDH1A1RAB9A

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