SCHEMBL5165095

SCHEMBL5165095

Cc1cc(Oc2ccc(S(C)(=O)=O)cc2)ccc1S(=O)(=O)N1CCc2ccccc2[C@H]1OC(=O)NO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 6/20 0.43
MMP1 P03956 7/20 0.42
MMP2 P08253 6/20 0.39
MMP9 P14780 6/20 0.39
MMP14 P50281 6/20 0.39
MMP15 P51511 5/20 0.39
MMP16 P51512 5/20 0.39
MMP26 Q9NRE1 5/20 0.39
MMP7 P09237 5/20 0.39
EPHX2 P34913 2/20 0.39
MMP8 P22894 4/20 0.38
MMP3 P08254 3/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
AKR1C3 P42330 1/20 0.36
MMP13 P45452 1/20 0.36
FAAH O00519 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
BAK1 Q16611 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5434348 0.90 MMP12 (0.39) MMP12MMP1MMP2MMP9MMP14
SCHEMBL5160366 0.89 MMP1 (0.51) MMP12MMP1MMP2MMP9MMP14
SCHEMBL14427192 0.87 MMP12 (0.58) MMP12MMP1MMP2MMP9MMP14
SCHEMBL14427195 0.84 MMP12 (0.47) MMP12MMP1MMP2MMP9MMP14
SCHEMBL5164049 0.82 MMP1 (0.52) MMP12MMP1MMP2MMP9MMP14
SCHEMBL5159963 0.80 THRB (0.49) MMP12MMP1MMP2MMP9MMP14
SCHEMBL5160245 0.80 THRB (0.49) MMP12MMP1MMP2MMP9MMP14
SCHEMBL5163691 0.79 MMP1 (0.55) MMP12MMP1MMP2MMP9MMP14
SCHEMBL5165012 0.79 MMP1 (0.48) MMP12MMP1MMP2MMP9MMP14
SCHEMBL5437354 0.78 MMP1 (0.46) MMP1MMP8MMP3TAS2R14AKR1C3

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