SCHEMBL4564384

SCHEMBL4564384

C#CCC(NS(=O)(=O)c1ccc(OC)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.67
MMP13 P45452 16/20 0.67
MMP3 P08254 12/20 0.67
MMP1 P03956 6/20 0.67
MMP9 P14780 4/20 0.65
MMP8 P22894 2/20 0.65
SLC1A3 P43003 1/20 0.55
SLC1A2 P43004 1/20 0.55
SLC1A1 P43005 1/20 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
SCHEMBL4564383 1.00 MMP2 (0.67) MMP2MMP13MMP3MMP1MMP9
SCHEMBL22787772 0.90 MMP2 (0.55) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7511957 0.86 MMP2 (0.60) MMP2MMP13MMP3MMP1MMP9
SCHEMBL4333373 0.85 MMP2 (0.64) MMP2MMP13MMP3MMP1MMP9
SCHEMBL4333378 0.85 MMP2 (0.64) MMP2MMP13MMP3MMP1MMP9
SCHEMBL13570807 0.83 MMP2 (0.62) MMP2MMP13MMP3MMP1MMP9
SCHEMBL13570499 0.83 MMP2 (0.62) MMP2MMP13MMP3MMP1MMP9
SCHEMBL4619626 0.83 MMP2 (0.66) MMP2MMP13MMP3MMP1MMP9
SCHEMBL4621504 0.83 MMP2 (0.66) MMP2MMP13MMP3MMP1MMP9
SCHEMBL4620929 0.83 MMP2 (0.66) MMP2MMP13MMP3MMP1MMP9

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
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed