SCHEMBL29322339

SCHEMBL29322339

CCOc1ccc(CC(=O)N2CCCC(c3cccc(OC(C)(C)C(=O)CCO)c3)C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.63
BCL9 O00512 13/20 0.55
CTNNB1 P35222 13/20 0.55
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4032755 0.90 PPARA (0.78) PPARABCL9CTNNB1ALDH1A1RAB9A
SCHEMBL29322546 0.86 PPARA (0.67) PPARABCL9CTNNB1ALDH1A1RAB9A
SCHEMBL29322403 0.86 PPARA (0.60) PPARABCL9CTNNB1ALDH1A1RAB9A
SCHEMBL29322551 0.83 PPARA (0.56) PPARABCL9CTNNB1ALDH1A1RAB9A
SCHEMBL29322561 0.83 PPARA (0.67) PPARABCL9CTNNB1ALDH1A1RAB9A
SCHEMBL4029801 0.83 PPARA (0.80) PPARABCL9CTNNB1ALDH1A1RAB9A
SCHEMBL4026754 0.82 PPARA (0.82) PPARABCL9CTNNB1ALDH1A1RAB9A
SCHEMBL4027855 0.80 PPARA (0.83) PPARABCL9CTNNB1ALDH1A1RAB9A
SCHEMBL4034504 0.80 PPARA (0.82) PPARABCL9CTNNB1ALDH1A1RAB9A
SCHEMBL4032885 0.80 PPARA (0.82) 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