SCHEMBL29319369

SCHEMBL29319369

CC(C)(Oc1cccc(C2CCCN(F)C2)c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 18/20 0.64
CTNNB1 P35222 18/20 0.64
PPARA Q07869 1/20 0.61

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
SCHEMBL5499849 0.87 BCL9 (0.71) BCL9CTNNB1PPARA
SCHEMBL5504524 0.87 BCL9 (0.71) BCL9CTNNB1PPARA
SCHEMBL4031303 0.84 BCL9 (0.74) BCL9CTNNB1PPARA
SCHEMBL4031309 0.84 BCL9 (0.74) BCL9CTNNB1PPARA
SCHEMBL4029881 0.84 BCL9 (0.67) BCL9CTNNB1PPARA
SCHEMBL4026251 0.84 PPARA (0.69) BCL9CTNNB1PPARA
SCHEMBL4035035 0.84 BCL9 (0.72) BCL9CTNNB1PPARA
SCHEMBL4033599 0.83 BCL9 (0.81) BCL9CTNNB1PPARA
SCHEMBL4033604 0.83 BCL9 (0.81) BCL9CTNNB1PPARA
SCHEMBL4029621 0.82 BCL9 (0.70) BCL9CTNNB1PPARA

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