SCHEMBL29318865

SCHEMBL29318865

C=CC(C)(C)Cc1cccc(C2CCCN(C(=C)c3cccc(-c4ccccc4)c3)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.41
DRD2 P14416 6/20 0.41
DRD4 P21917 3/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
USP30 Q70CQ3 1/20 0.39
BCL9 O00512 2/20 0.38
CTNNB1 P35222 2/20 0.38
SIGMAR1 Q99720 3/20 0.36
NFKB1 P19838 1/20 0.36
PRCP P42785 1/20 0.36
EBP Q15125 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL29318885 0.94 DRD3 (0.42) DRD3DRD2DRD4DRD1DRD5
SCHEMBL29318781 0.90 BCL9 (0.41) DRD3DRD2DRD4DRD1DRD5
SCHEMBL29318790 0.87 BCL9 (0.44) DRD3DRD2DRD4DRD1DRD5
SCHEMBL29320229 0.86 PPARA (0.42) DRD3DRD2DRD4DRD1DRD5
SCHEMBL29318826 0.83 DRD3 (0.39) DRD3DRD2DRD4DRD1DRD5
SCHEMBL29318807 0.83 DRD3 (0.40) DRD3DRD2DRD4DRD1DRD5
SCHEMBL29320372 0.77 BCL9 (0.41) DRD3DRD2DRD4DRD1DRD5
SCHEMBL29319476 0.77 DRD3 (0.35) DRD3DRD2DRD4DRD1DRD5
SCHEMBL29322028 0.74 DRD2 (0.41) DRD3DRD2DRD4DRD1DRD5
SCHEMBL29320417 0.73 PROKR1 (0.41) BCL9CTNNB1PROKR1ALDH1A1

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