SCHEMBL5164049

SCHEMBL5164049

COc1ccc(Oc2ccc(S(=O)(=O)N3CCc4ccccc4[C@H]3OC(=O)NO)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.52
MMP9 P14780 9/20 0.52
MMP2 P08253 4/20 0.52
MMP12 P39900 3/20 0.52
MMP14 P50281 3/20 0.52
MMP15 P51511 3/20 0.52
MMP16 P51512 3/20 0.52
MMP26 Q9NRE1 3/20 0.52
MMP7 P09237 5/20 0.51
MMP3 P08254 6/20 0.51
TAS2R14 Q9NYV8 2/20 0.49
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MMP8 P22894 2/20 0.47
MMP13 P45452 5/20 0.47
ADAM17 P78536 3/20 0.47

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
SCHEMBL5160366 0.92 MMP1 (0.51) MMP1MMP9MMP2MMP12MMP14
SCHEMBL5159963 0.90 THRB (0.49) MMP1MMP9MMP2MMP12MMP14
SCHEMBL5160245 0.90 THRB (0.49) MMP1MMP9MMP2MMP12MMP14
SCHEMBL5163691 0.89 MMP1 (0.55) MMP1MMP9MMP2MMP12MMP14
SCHEMBL5165012 0.89 MMP1 (0.48) MMP1MMP9MMP2MMP12MMP14
SCHEMBL4692409 0.89 TAS2R14 (0.54) MMP1MMP9MMP2MMP12MMP14
SCHEMBL5164250 0.89 MMP1 (0.69) MMP1MMP9MMP2MMP12MMP14
SCHEMBL5435855 0.88 TAS2R14 (0.51) MMP1MMP9MMP2MMP12MMP14
SCHEMBL5162513 0.87 MMP1 (0.47) MMP1MMP9MMP2MMP14MMP7
SCHEMBL5163119 0.87 MMP1 (0.47) MMP1MMP9MMP2MMP14MMP7

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