SCHEMBL29318451

SCHEMBL29318451

CC(C)(Oc1cccc(C2CCCN(C(=O)c3cccc(C4CCCCC4)c3)C2)c1)C(=O)N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 15/20 0.55
CTNNB1 P35222 15/20 0.55
PROKR1 Q8TCW9 1/20 0.51
PPARA Q07869 1/20 0.49
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
MYC P01106 1/20 0.46

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
SCHEMBL30350467 1.00 BCL9 (0.55) BCL9CTNNB1PROKR1PPARAPARP14
Hydrochloric Acid SCHEMBL29054047 0.89 BCL9 (0.53) BCL9CTNNB1PROKR1PPARAPARP14
SCHEMBL29054075 0.88 BCL9 (0.54) BCL9CTNNB1PROKR1PPARAPARP14
SCHEMBL29054055 0.87 BCL9 (0.69) BCL9CTNNB1PROKR1PPARAPARP14
SCHEMBL30350430 0.87 BCL9 (0.69) BCL9CTNNB1PROKR1PPARAPARP14
SCHEMBL30498758 0.87 BCL9 (0.53) BCL9CTNNB1PROKR1PPARA
SCHEMBL29318456 0.87 BCL9 (0.53) BCL9CTNNB1PROKR1PPARA
SCHEMBL30498759 0.87 BCL9 (0.53) BCL9CTNNB1PROKR1PPARA
SCHEMBL29054039 0.85 BCL9 (0.60) BCL9CTNNB1PROKR1PPARAPARP14
SCHEMBL30350484 0.85 BCL9 (0.60) BCL9CTNNB1PROKR1PPARAPARP14

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