SCHEMBL7540158

SCHEMBL7540158

CN([C@@H](C(=O)NO)C1CCCC1)S(=O)(=O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.49
MMP9 P14780 8/20 0.49
MMP1 P03956 14/20 0.47
ADAMTS7 Q9UKP4 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
ADAM17 P78536 5/20 0.44
MMP3 P08254 6/20 0.43
MMP2 P08253 5/20 0.43
MMP7 P09237 4/20 0.42
MMP8 P22894 2/20 0.41
MMP14 P50281 2/20 0.41
MMP16 P51512 1/20 0.40
DUT P33316 1/20 0.40

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
SCHEMBL7540164 1.00 MMP13 (0.49) MMP13MMP9MMP1ADAMTS7ADAMTS5
SCHEMBL7535242 0.99 MMP13 (0.48) MMP13MMP9MMP1ADAMTS7ADAMTS5
SCHEMBL7535249 0.99 MMP13 (0.48) MMP13MMP9MMP1ADAMTS7ADAMTS5
SCHEMBL7536591 0.96 MMP13 (0.51) MMP13MMP9MMP1ADAMTS7ADAMTS5
SCHEMBL7536587 0.96 MMP13 (0.51) MMP13MMP9MMP1ADAMTS7ADAMTS5
SCHEMBL7540547 0.91 MMP1 (0.48) MMP13MMP9MMP1ADAMTS7ADAMTS5
SCHEMBL7540553 0.91 MMP1 (0.48) MMP13MMP9MMP1ADAMTS7ADAMTS5
SCHEMBL7535443 0.87 MMP1 (0.46) MMP13MMP9MMP1ADAMTS7ADAMTS5
SCHEMBL7535439 0.87 MMP1 (0.46) MMP13MMP9MMP1ADAMTS7ADAMTS5
SCHEMBL7534393 0.87 ADAMTS7 (0.47) MMP13MMP9MMP1ADAMTS7ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-H1992-H1 INHIBITION OF METALLOPROTEINASES AND TUMOR NECROSIS FACTOR CONVERTASE WHICH DEGRADE PROTEIN COMPONENTS OF EXTRACELLULAR MATRIX AGOURON PHARMACEUTICALS, INC. 2001-09-04 US claimed
WO-1998050348-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 1998-11-12 WO claimed
US-H1992-H1 INHIBITION OF METALLOPROTEINASES AND TUMOR NECROSIS FACTOR CONVERTASE WHICH DEGRADE PROTEIN COMPONENTS OF EXTRACELLULAR MATRIX AGOURON PHARMACEUTICALS, INC. 2001-09-04 US disclosed
WO-1998050348-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 1998-11-12 WO disclosed