SCHEMBL29183281

SCHEMBL29183281

CCCC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.58
MMP9 P14780 11/20 0.58
HSD17B10 Q99714 1/20 0.58
MMP13 P45452 7/20 0.58
MMP3 P08254 7/20 0.58
MMP1 P03956 5/20 0.58
MMP8 P22894 5/20 0.56
SLC1A3 P43003 1/20 0.55
SLC1A2 P43004 1/20 0.55
SLC1A1 P43005 1/20 0.55
MMP12 P39900 3/20 0.55
MMP14 P50281 3/20 0.55
MMP7 P09237 1/20 0.54

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
SCHEMBL29163156 1.00 MMP2 (0.58) MMP2MMP9HSD17B10MMP13MMP3
SCHEMBL29207010 0.92 HSD17B10 (0.56) MMP2MMP9HSD17B10MMP13MMP3
SCHEMBL29207009 0.92 HSD17B10 (0.56) MMP2MMP9HSD17B10MMP13MMP3
SCHEMBL13571241 0.86 MMP2 (0.60) MMP2MMP9MMP13MMP3MMP1
SCHEMBL13570945 0.86 MMP2 (0.60) MMP2MMP9MMP13MMP3MMP1
SCHEMBL13571156 0.86 MMP2 (0.60) MMP2MMP9MMP13MMP3MMP1
SCHEMBL13570499 0.86 MMP2 (0.62) MMP2MMP9MMP13MMP3MMP1
SCHEMBL11887788 0.86 MMP2 (0.62) MMP2MMP9MMP13MMP3MMP1
SCHEMBL13570807 0.86 MMP2 (0.62) MMP2MMP9MMP13MMP3MMP1
SCHEMBL30444807 0.86 MMP2 (0.60) MMP2MMP9MMP13MMP3MMP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658945-A Synthesis method of persulfate-induced alkylation modified nitrogen heterocyclic compound 浙江工业大学 2024-03-08 CN disclosed
CN-117645581-A Method for synthesizing series of functional groups of photocatalytic inert C (sp 3) -H bond 浙江工业大学台州研究院 2024-03-05 CN disclosed