SCHEMBL5165907

SCHEMBL5165907

O=C(NO)OC1c2ccccc2CCN1S(=O)(=O)CCc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 11/20 0.51
MMP13 P45452 6/20 0.51
MMP12 P39900 5/20 0.51
MMP3 P08254 4/20 0.41
MMP1 P03956 3/20 0.40
MMP7 P09237 1/20 0.40
THRB P10828 1/20 0.39
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
GPR183 P32249 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
FKBP1A P62942 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 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
SCHEMBL5439636 0.89 MMP8 (0.46) MMP8MMP13MMP12MMP3MMP1
SCHEMBL5165108 0.86 MMP8 (0.55) MMP8MMP13MMP12MMP3MMP1
SCHEMBL5163127 0.86 MMP8 (0.55) MMP8MMP13MMP12MMP3MMP1
SCHEMBL5160313 0.86 MMP8 (0.55) MMP8MMP13MMP12MMP3MMP1
SCHEMBL5160245 0.84 THRB (0.49) MMP8MMP13MMP12MMP3MMP1
SCHEMBL5159963 0.84 THRB (0.49) MMP8MMP13MMP12MMP3MMP1
SCHEMBL5165977 0.83 MMP8 (0.52) MMP8MMP13MMP12MMP3MMP1
SCHEMBL5164001 0.83 MMP8 (0.52) MMP8MMP13MMP12MMP3MMP1
SCHEMBL5160395 0.79 MMP8 (0.60) MMP8MMP13MMP12MMP3MMP1
SCHEMBL14427172 0.77 MMP8 (0.54) MMP8MMP13MMP12MMP3MMP1

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