SCHEMBL8527273

SCHEMBL8527273

COC(=O)[C@]1(S(=O)(=O)c2ccc(OC)cc2)CCCN1N

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 15/20 0.50
MMP13 P45452 14/20 0.50
MMP1 P03956 12/20 0.50
ADAM17 P78536 5/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MMP2 P08253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MMP3 P08254 2/20 0.44
MMP7 P09237 1/20 0.44
MMP8 P22894 1/20 0.44
MMP10 P09238 1/20 0.43

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
SCHEMBL8498354 0.87 MMP9 (0.50) MMP9MMP13MMP1ADAM17CA12
SCHEMBL8501596 0.80 MMP9 (0.44) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL8498339 0.80 MMP9 (0.48) MMP9MMP13MMP1ADAM17CA12
SCHEMBL8501409 0.79 MMP9 (0.45) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL8500443 0.79 MMP9 (0.43) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL8499613 0.78 MMP9 (0.48) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL8502526 0.76 MMP1 (0.46) MMP9MMP13MMP1ADAM17CA12
SCHEMBL8501551 0.75 CYP3A4 (0.52) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL8525528 0.74 MMP13 (0.43) MMP9MMP13MMP1ADAM17CA12
SCHEMBL8199043 0.72 MMP1 (0.52) MMP9MMP13MMP1MMP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927161-A1 SUBSTITUTED CYCLIC AMINE METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-07-07 EP disclosed
WO-1998008815-A1 SUBSTITUTED CYCLIC AMINE METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1998-03-05 WO disclosed