SCHEMBL7417423

SCHEMBL7417423

COc1ccc(S(=O)(=O)C(C(C)O)S(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.54
MMP1 P03956 7/20 0.54
PKM P14618 3/20 0.53
MMP2 P08253 3/20 0.50
MMP9 P14780 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP8 P22894 1/20 0.50
GAA P10253 1/20 0.50
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL10762585 0.82 MMP13 (0.51) MMP13MMP1PKMMMP2MMP9
SCHEMBL9951983 0.81 MMP13 (0.58) MMP13MMP1PKMMMP2MMP9
SCHEMBL4195254 0.80 PKM (0.61) MMP13MMP1PKMMMP2MMP9
SCHEMBL7411621 0.77 MMP13 (0.57) MMP13MMP1PKMMMP2MMP9
SCHEMBL7352846 0.76 MMP13 (0.60) MMP13MMP1PKMMMP2MMP9
SCHEMBL9732631 0.75 PKM (0.59) MMP13MMP1PKMMMP2MMP9
SCHEMBL11575338 0.75 PKM (0.59) MMP13MMP1PKMMMP2MMP9
SCHEMBL751678 0.75 PKM (0.59) MMP13MMP1PKMMMP2MMP9
SCHEMBL6929276 0.74 MMP1 (0.70) MMP13MMP1PKMMMP2MMP9
SCHEMBL7207035 0.74 MMP1 (0.54) MMP13MMP1PKMMMP2MMP9

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-0927168-A1 1,3-DIHETEROCYCLIC METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-07-07 EP disclosed
WO-1998008822-A1 1,3-DIHETEROCYCLIC METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1998-03-05 WO disclosed