SCHEMBL7534409

SCHEMBL7534409

CN([C@@H](C(=O)NO)C1CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.47
MMP13 P45452 8/20 0.47
MMP2 P08253 6/20 0.47
MMP9 P14780 6/20 0.47
MMP14 P50281 4/20 0.47
MMP3 P08254 3/20 0.47
MMP7 P09237 2/20 0.47
MMP8 P22894 2/20 0.47
ADAM17 P78536 3/20 0.45
ABCB11 O95342 1/20 0.45
MMP10 P09238 1/20 0.45
ADAMTS7 Q9UKP4 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
MME P08473 1/20 0.42
PGR P06401 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
SCHEMBL7534411 1.00 MMP1 (0.47) MMP1MMP13MMP2MMP9MMP14
SCHEMBL7534476 0.90 MMP1 (0.46) MMP1MMP13MMP2MMP9MMP14
SCHEMBL7534479 0.90 MMP1 (0.46) MMP1MMP13MMP2MMP9MMP14
SCHEMBL7535443 0.90 MMP1 (0.46) MMP1MMP13MMP2MMP9MMP14
SCHEMBL7535439 0.90 MMP1 (0.46) MMP1MMP13MMP2MMP9MMP14
SCHEMBL7540547 0.89 MMP1 (0.48) MMP1MMP13MMP2MMP9MMP14
SCHEMBL7540553 0.89 MMP1 (0.48) MMP1MMP13MMP2MMP9MMP14
SCHEMBL7537049 0.87 MMP9 (0.50) MMP1MMP13MMP2MMP9MMP14
SCHEMBL7537041 0.87 MMP9 (0.50) MMP1MMP13MMP2MMP9MMP14
SCHEMBL7536591 0.81 MMP13 (0.51) MMP1MMP13MMP2MMP9MMP14

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