SCHEMBL1024879

SCHEMBL1024879

COCCOc1ccc2c(c1)CCN(S(=O)(=O)c1ccc(Oc3ccc(F)cc3)cc1)C2OC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.46
MMP2 P08253 10/20 0.46
MMP7 P09237 7/20 0.46
MMP9 P14780 6/20 0.46
MMP12 P39900 5/20 0.46
MMP14 P50281 5/20 0.46
MMP15 P51511 5/20 0.46
MMP16 P51512 5/20 0.46
MMP26 Q9NRE1 5/20 0.46
TAS2R14 Q9NYV8 1/20 0.43
ADAM17 P78536 1/20 0.42
MMP3 P08254 5/20 0.41
MMP13 P45452 4/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41

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
SCHEMBL1019184 0.92 MMP1 (0.47) MMP1MMP2MMP7MMP9MMP12
SCHEMBL1021428 0.92 MMP1 (0.49) MMP1MMP2MMP7MMP9MMP12
SCHEMBL1022000 0.90 MEN1 (0.46) MMP1MMP2MMP7MMP9MMP12
SCHEMBL1021326 0.89 ESR1 (0.51) MMP1MMP2MMP7MMP9MMP12
SCHEMBL1020703 0.89 MMP1 (0.43) MMP1MMP2MMP7MMP9MMP12
SCHEMBL1019860 0.88 EPHX2 (0.46) MMP1MMP2MMP7MMP9MMP12
SCHEMBL1021877 0.88 MMP1 (0.56) MMP1MMP2MMP7MMP9MMP12
SCHEMBL1021485 0.86 CACNA1B (0.43) MMP1MMP2MMP7MMP9MMP12
SCHEMBL3532216 0.86 MMP1 (0.51) MMP1MMP2MMP7MMP9MMP12
SCHEMBL1019183 0.85 MMP1 (0.52) MMP1MMP2MMP7MMP9MMP12

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