SCHEMBL5164250

SCHEMBL5164250

COc1ccc(Oc2ccc(S(=O)(=O)N3CCc4cc(O)ccc4C3OC(=O)NO)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.69
MMP9 P14780 12/20 0.69
MMP2 P08253 11/20 0.69
MMP12 P39900 10/20 0.69
MMP14 P50281 10/20 0.69
MMP15 P51511 10/20 0.69
MMP16 P51512 10/20 0.69
MMP26 Q9NRE1 10/20 0.69
MMP7 P09237 8/20 0.55
MMP3 P08254 5/20 0.52
MMP8 P22894 4/20 0.52
TAS2R14 Q9NYV8 2/20 0.49

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
SCHEMBL1020024 0.91 MMP1 (0.66) MMP1MMP9MMP2MMP12MMP14
SCHEMBL5438666 0.89 MMP1 (0.63) MMP1MMP9MMP2MMP12MMP14
SCHEMBL5164049 0.89 MMP1 (0.52) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1024080 0.84 MMP1 (0.53) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1021277 0.84 MMP1 (0.53) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1021877 0.83 MMP1 (0.56) MMP1MMP9MMP2MMP12MMP14
SCHEMBL3534852 0.83 MMP1 (0.77) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1021032 0.81 MMP1 (0.49) MMP1MMP9MMP2MMP12MMP14
SCHEMBL5160366 0.81 MMP1 (0.51) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1021428 0.81 MMP1 (0.49) MMP1MMP9MMP2MMP12MMP14

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-1763516-A2 SUBSTITUTED TETRAHYDROISOCHINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRAGS Sanofi-Aventis Deutschland GmbH (DE) 2007-03-21 EP disclosed
WO-2006002763-A2 SUBSTITUTED TETRAHYDROISOCHINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRAGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-12 WO disclosed