SCHEMBL5163971

SCHEMBL5163971

CCc1ccc(F)c2c1CCN(S(=O)(=O)c1ccc(Oc3ccc(Cl)cc3)cc1)C2OC(=O)NO

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.44
MMP9 P14780 9/20 0.44
MMP2 P08253 5/20 0.44
MMP3 P08254 4/20 0.44
MMP8 P22894 3/20 0.43
MMP14 P50281 2/20 0.43
MMP12 P39900 1/20 0.43
ADAM17 P78536 10/20 0.42
MMP13 P45452 6/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.38
MMP7 P09237 1/20 0.38

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
SCHEMBL5163447 0.93 MMP3 (0.41) MMP1MMP9MMP2MMP3MMP8
SCHEMBL5160964 0.92 MMP1 (0.45) MMP1MMP9MMP2MMP3MMP8
SCHEMBL5160889 0.90 MMP1 (0.45) MMP1MMP9MMP2MMP3MMP8
SCHEMBL5164149 0.90 MMP1 (0.45) MMP1MMP9MMP2MMP3MMP8
SCHEMBL5188709 0.90 MMP1 (0.45) MMP1MMP9MMP2MMP3MMP8
SCHEMBL5443107 0.90 MMP8 (0.40) MMP1MMP9MMP2MMP3MMP8
SCHEMBL14427245 0.86 MMP1 (0.49) MMP1MMP9MMP2MMP3MMP8
SCHEMBL5160057 0.83 MMP1 (0.46) MMP1MMP9MMP2MMP3MMP14
SCHEMBL5164121 0.83 MMP1 (0.46) MMP1MMP9MMP2MMP3MMP14
SCHEMBL5161051 0.83 MMP1 (0.46) MMP1MMP9MMP2MMP3MMP14

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