SCHEMBL7535443

SCHEMBL7535443

CN(C(C(=O)NO)C1CCCCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.46
MMP2 P08253 9/20 0.46
MMP13 P45452 8/20 0.46
MMP3 P08254 5/20 0.46
MMP8 P22894 3/20 0.46
ADAMTS7 Q9UKP4 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
MMP9 P14780 9/20 0.43
ADAM17 P78536 4/20 0.42
PGR P06401 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
MMP14 P50281 1/20 0.41
MMP16 P51512 1/20 0.41

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
SCHEMBL7535439 1.00 MMP1 (0.46) MMP1MMP2MMP13MMP3MMP8
SCHEMBL7534411 0.90 MMP1 (0.47) MMP1MMP2MMP13MMP3MMP8
SCHEMBL7534409 0.90 MMP1 (0.47) MMP1MMP2MMP13MMP3MMP8
SCHEMBL7534393 0.89 ADAMTS7 (0.47) MMP1MMP2MMP13MMP3MMP8
SCHEMBL7534389 0.89 ADAMTS7 (0.47) MMP1MMP2MMP13MMP3MMP8
SCHEMBL7537049 0.89 MMP9 (0.50) MMP1MMP2MMP13MMP3MMP8
SCHEMBL7537041 0.89 MMP9 (0.50) MMP1MMP2MMP13MMP3MMP8
SCHEMBL7535242 0.88 MMP13 (0.48) MMP1MMP2MMP13MMP3MMP8
SCHEMBL7535249 0.88 MMP13 (0.48) MMP1MMP2MMP13MMP3MMP8
SCHEMBL7540158 0.87 MMP13 (0.49) MMP1MMP2MMP13MMP3MMP8

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