SCHEMBL1020024

SCHEMBL1020024

COC(=O)OC1c2ccc(O)cc2CCN1S(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.66
MMP2 P08253 10/20 0.66
MMP9 P14780 10/20 0.66
MMP12 P39900 9/20 0.66
MMP14 P50281 9/20 0.66
MMP15 P51511 9/20 0.66
MMP16 P51512 9/20 0.66
MMP26 Q9NRE1 9/20 0.66
MMP7 P09237 6/20 0.52
TAS2R14 Q9NYV8 2/20 0.51
MMP8 P22894 4/20 0.49
MMP3 P08254 3/20 0.49
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45

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
SCHEMBL1021877 0.93 MMP1 (0.56) MMP1MMP2MMP9MMP12MMP14
SCHEMBL5164250 0.91 MMP1 (0.69) MMP1MMP2MMP9MMP12MMP14
SCHEMBL5438666 0.90 MMP1 (0.63) MMP1MMP2MMP9MMP12MMP14
SCHEMBL3534852 0.84 MMP1 (0.77) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1021283 0.83 ESR1 (0.53) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1020994 0.83 MMP1 (0.50) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1021973 0.80 MMP1 (0.47) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1024879 0.80 MMP1 (0.46) MMP1MMP2MMP9MMP12MMP14
SCHEMBL4692409 0.79 TAS2R14 (0.54) MMP1MMP2MMP9MMP12MMP14
SCHEMBL5164049 0.78 MMP1 (0.52) MMP1MMP2MMP9MMP12MMP14

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