SCHEMBL29318802

SCHEMBL29318802

C=C(c1cccc(C2CCCCC2)c1)N1CCCC(c2cccc(OC(C)(C)C=O)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 14/20 0.50
CTNNB1 P35222 14/20 0.50
PPARA Q07869 1/20 0.44
PROKR1 Q8TCW9 1/20 0.43
KMO O15229 1/20 0.40
DRD3 P35462 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
SCHEMBL29319709 0.77 BCL9 (0.56) BCL9CTNNB1PPARA
SCHEMBL29318848 0.77 BCL9 (0.53) BCL9CTNNB1PPARA
SCHEMBL29054055 0.77 BCL9 (0.69) BCL9CTNNB1PPARAPROKR1
SCHEMBL30350430 0.77 BCL9 (0.69) BCL9CTNNB1PPARAPROKR1
SCHEMBL30350484 0.75 BCL9 (0.60) BCL9CTNNB1PPARAPROKR1
SCHEMBL29054039 0.75 BCL9 (0.60) BCL9CTNNB1PPARAPROKR1
SCHEMBL29318451 0.74 BCL9 (0.55) BCL9CTNNB1PPARAPROKR1
SCHEMBL30350467 0.74 BCL9 (0.55) BCL9CTNNB1PPARAPROKR1
Hydrochloric Acid SCHEMBL29054047 0.73 BCL9 (0.53) BCL9CTNNB1PPARAPROKR1
SCHEMBL29321066 0.73 BCL9 (0.67) BCL9CTNNB1

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