SCHEMBL7687675

SCHEMBL7687675

CC(C)(CCS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.67
MMP2 P08253 12/20 0.67
MMP1 P03956 11/20 0.67
MMP3 P08254 1/20 0.50
MMP8 P22894 1/20 0.50
MMP9 P14780 1/20 0.49

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
SCHEMBL6767563 0.81 MMP13 (0.77) MMP13MMP2MMP1
SCHEMBL6767568 0.81 MMP13 (0.77) MMP13MMP2MMP1
SCHEMBL6769491 0.81 MMP13 (0.77) MMP13MMP2MMP1
SCHEMBL5919394 0.80 MMP13 (0.64) MMP13MMP2MMP1MMP3MMP8
SCHEMBL7299694 0.75 MMP13 (0.62) MMP13MMP2MMP1MMP3MMP8
SCHEMBL7360559 0.74 MMP13 (0.62) MMP13MMP2MMP1MMP3MMP8
SCHEMBL6764638 0.74 MMP13 (0.67) MMP13MMP2MMP1
SCHEMBL21967031 0.74 MMP2 (0.51) MMP13MMP2MMP1MMP3MMP9
SCHEMBL6774922 0.74 MMP13 (0.67) MMP13MMP2MMP1
SCHEMBL5919644 0.74 MMP1 (0.74) MMP13MMP2MMP1MMP3MMP8

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-6476027-B1 N-hydroxy 4-sulfonyl butanamide compounds MONSANTO COMPANY 2002-11-05 US disclosed