SCHEMBL8326140

SCHEMBL8326140

O=C(NO)C1CC2CCCCC2N1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.52
PSEN2 P49810 2/20 0.52
APH1B Q8WW43 2/20 0.52
NCSTN Q92542 2/20 0.52
APH1A Q96BI3 2/20 0.52
PSENEN Q9NZ42 2/20 0.52
MMP8 P22894 5/20 0.52
MMP3 P08254 5/20 0.52
MMP2 P08253 9/20 0.49
MMP9 P14780 9/20 0.49
MMP1 P03956 6/20 0.44
MMP12 P39900 4/20 0.44
MMP14 P50281 3/20 0.43
ADAM17 P78536 1/20 0.43
ACHE P22303 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL13201330 0.98 MMP8 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8325151 0.90 MMP9 (0.62) MMP8MMP3MMP2MMP9MMP1
SCHEMBL8320651 0.87 MMP9 (0.62) MMP8MMP3MMP2MMP9MMP1
SCHEMBL8328120 0.87 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13480199 0.86 MMP2 (0.49) MMP8MMP3MMP2MMP9MMP1
SCHEMBL16298354 0.86 MMP2 (0.49) MMP8MMP3MMP2MMP9MMP1
SCHEMBL8319047 0.85 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13201328 0.84 CA9 (0.52) MMP8MMP3MMP2MMP9MMP1
SCHEMBL13201315 0.83 MMP2 (0.46) MMP3MMP2MMP9MMP1MMP12
SCHEMBL5310614 0.83 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A

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
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
EP-1585728-B1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES SANOFI AVENTIS DEUTSCHLAND (DE) 2010-02-24 EP disclosed
WO-2004060874-A1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO disclosed