SCHEMBL29319727

SCHEMBL29319727

CC(C)c1ccc(CNC(=O)N2CCCC(c3cccc(CC(C)(C)C)c3)C2)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 10/20 0.71
CTNNB1 P35222 10/20 0.71
PPARA Q07869 1/20 0.53
KMT2A Q03164 1/20 0.48
EPHX2 P34913 2/20 0.45
PDE4B Q07343 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.44
DRD2 P14416 1/20 0.41
DRD3 P35462 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
SCHEMBL4030443 0.83 BCL9 (1.00) BCL9CTNNB1PPARA
SCHEMBL4033030 0.83 BCL9 (1.00) BCL9CTNNB1PPARA
SCHEMBL4030436 0.83 BCL9 (1.00) BCL9CTNNB1PPARA
SCHEMBL29319669 0.77 PPARA (0.66) BCL9CTNNB1PPARASMN1; SMN2DRD2
SCHEMBL29322336 0.72 KMT2A (0.54) BCL9CTNNB1KMT2AEPHX2SMN1; SMN2
SCHEMBL27616063 0.71 PPARA (0.69) BCL9CTNNB1PPARADRD2DRD3
SCHEMBL27634993 0.71 PPARA (0.69) BCL9CTNNB1PPARADRD2DRD3
SCHEMBL27634943 0.71 PPARA (0.69) BCL9CTNNB1PPARADRD2DRD3
SCHEMBL4027843 0.71 BCL9 (0.79) BCL9CTNNB1PPARA
SCHEMBL4035857 0.71 BCL9 (0.79) 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