SCHEMBL29317746

SCHEMBL29317746

CC(C)OC(C)(C)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.48
MMP7 P09237 2/20 0.48
MMP9 P14780 2/20 0.48
MMP13 P45452 2/20 0.48
MMP3 P08254 2/20 0.48
MMP2 P08253 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
EEF2K O00418 2/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
IDO1 P14902 1/20 0.43
PPARA Q07869 2/20 0.42
ALKBH2 Q6NS38 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
ALKBH3 Q96Q83 1/20 0.42
FTO Q9C0B1 1/20 0.42
CNR2 P34972 1/20 0.41
MMP10 P09238 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
SCHEMBL29321248 0.86 CA1 (0.48) MMP1MMP7MMP9MMP13MMP3
SCHEMBL29317764 0.85 PPARA (0.45) CA1CA2PPARAADAMTS4
SCHEMBL29317683 0.83 PPARA (0.59) CA2PPARA
SCHEMBL29317748 0.82 MMP2 (0.50) MMP1MMP7MMP9MMP13MMP3
SCHEMBL29317759 0.81 BCL9 (0.44) CNR2BCL9CTNNB1
SCHEMBL29321247 0.81 PPARA (0.42) PPARA
SCHEMBL19627390 0.81 MMP1 (0.51) MMP1MMP7MMP9MMP13MMP3
SCHEMBL29321254 0.80 CA1 (0.52) MMP1MMP9MMP13MMP2CA1
SCHEMBL29317687 0.80 MMP13 (0.47) MMP1MMP7MMP9MMP13MMP3
SCHEMBL3530334 0.77 MMP1 (0.49) MMP1MMP7MMP9MMP13MMP3

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