SCHEMBL29319693

SCHEMBL29319693

C=C(/C=C/c1ccc(C(C)C)cc1)N1CCCC(c2cccc(CC(C)(C)C=O)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 8/20 0.54
CTNNB1 P35222 8/20 0.54
PPARA Q07869 1/20 0.47
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
DRD5 P21918 2/20 0.39
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL29319669 0.84 PPARA (0.66) BCL9CTNNB1PPARAHPGDALDH1A1
SCHEMBL29320229 0.74 PPARA (0.42) BCL9CTNNB1PPARADRD2DRD3
SCHEMBL29319727 0.71 BCL9 (0.71) BCL9CTNNB1PPARADRD2DRD3
SCHEMBL29319698 0.70 BCL9 (1.00) BCL9CTNNB1PPARAMAPTHPGD
SCHEMBL4033234 0.70 BCL9 (0.79) BCL9CTNNB1PPARAMAPTHPGD
SCHEMBL4033233 0.70 BCL9 (0.79) BCL9CTNNB1PPARAMAPTHPGD
SCHEMBL27634943 0.67 PPARA (0.69) BCL9CTNNB1PPARAALDH1A1DRD2
SCHEMBL27616063 0.67 PPARA (0.69) BCL9CTNNB1PPARAALDH1A1DRD2
SCHEMBL27634993 0.67 PPARA (0.69) BCL9CTNNB1PPARAALDH1A1DRD2
SCHEMBL29318885 0.66 DRD3 (0.42) BCL9CTNNB1HPGDALDH1A1DRD2

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