SCHEMBL1024080

SCHEMBL1024080

CCN(CC)CCOc1ccc2c(c1)CCN(S(=O)(=O)c1ccc(Oc3ccc(OC)cc3)cc1)C2OC(=O)NO

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.53
MMP9 P14780 10/20 0.53
MMP2 P08253 7/20 0.53
MMP7 P09237 7/20 0.53
MMP12 P39900 6/20 0.53
MMP14 P50281 6/20 0.53
MMP15 P51511 6/20 0.53
MMP16 P51512 6/20 0.53
MMP26 Q9NRE1 6/20 0.53
TAS2R14 Q9NYV8 2/20 0.44
MMP13 P45452 2/20 0.43
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
MMP3 P08254 5/20 0.41
SLC6A4 P31645 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MMP8 P22894 2/20 0.40
GRIN2C Q14957 1/20 0.40

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
SCHEMBL1021470 0.93 MMP1 (0.45) MMP1MMP9MMP2MMP7MMP12
SCHEMBL1020994 0.92 MMP1 (0.50) MMP1MMP9MMP2MMP7MMP12
SCHEMBL1023199 0.91 MMP1 (0.51) MMP1MMP9MMP2MMP7MMP12
SCHEMBL3534115 0.87 MMP1 (0.67) MMP1MMP9MMP2MMP7MMP12
SCHEMBL1020703 0.86 MMP1 (0.43) MMP1MMP9MMP2MMP7MMP12
SCHEMBL1021277 0.86 MMP1 (0.53) MMP1MMP9MMP2MMP7MMP12
SCHEMBL3534955 0.85 MMP1 (0.55) MMP1MMP9MMP2MMP7MMP12
SCHEMBL1023198 0.84 MMP1 (0.56) MMP1MMP9MMP2MMP7MMP12
SCHEMBL1021032 0.84 MMP1 (0.49) MMP1MMP9MMP2MMP7MMP12
SCHEMBL5164250 0.84 MMP1 (0.69) MMP1MMP9MMP2MMP7MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869001-B1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
EP-1869001-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE Sanofi-Aventis (FR) 2007-12-26 EP disclosed
WO-2006102998-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI-AVENTIS (DE) 2006-10-05 WO disclosed