SCHEMBL29317748

SCHEMBL29317748

COc1ccc(S(=O)(=O)NC(=O)C(C)(C)OC(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.50
MMP9 P14780 3/20 0.50
MMP1 P03956 2/20 0.50
MMP8 P22894 2/20 0.50
MMP13 P45452 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
PPARA Q07869 3/20 0.49
HSD17B10 Q99714 1/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
LMNA P02545 1/20 0.48
EGFR P00533 5/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
ERBB2 P04626 4/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL29317764 0.86 PPARA (0.45) CA1CA2PPARACA12CA9
SCHEMBL29321248 0.84 CA1 (0.48) MMP2MMP9MMP1MMP8MMP13
SCHEMBL29317756 0.84 FLT1 (0.50) PPARALMNAALDH1A1FLT1FLT4
SCHEMBL29317683 0.84 PPARA (0.59) CA2PPARALMNAEGFRERBB2
SCHEMBL29317746 0.82 MMP1 (0.48) MMP2MMP9MMP1MMP13CA1
SCHEMBL29321247 0.82 PPARA (0.42) PPARALMNAALDH1A1SMN1; SMN2
SCHEMBL12862919 0.82 MMP2 (0.59) MMP2MMP9MMP1MMP8MMP13
SCHEMBL29321254 0.81 CA1 (0.52) MMP2MMP9MMP1MMP8MMP13
SCHEMBL29317687 0.81 MMP13 (0.47) MMP2MMP9MMP1MMP13PPARA
SCHEMBL29317754 0.80 LARS1 (0.53) PPARALMNAALDH1A1SMN1; SMN2SLC1A3

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