SCHEMBL8319435

SCHEMBL8319435

O=C(O)[C@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.48
MMP9 P14780 3/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C1 Q04828 1/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
ACHE P22303 1/20 0.43
ATM Q13315 1/20 0.43
MMP8 P22894 3/20 0.43
MMP3 P08254 2/20 0.43
MMP1 P03956 1/20 0.43
MMP12 P39900 1/20 0.43
MMP14 P50281 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
GHSR Q92847 3/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 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
SCHEMBL8327363 0.97 MMP2 (0.48) MMP2MMP9AKR1C3AKR1C1ALDH1A1
SCHEMBL13479960 0.90 AKR1C3 (0.39) MMP2MMP9AKR1C3AKR1C1ALDH1A1
SCHEMBL2959199 0.90 AKR1C3 (0.39) MMP2MMP9AKR1C3AKR1C1ALDH1A1
SCHEMBL8319047 0.90 PSEN1 (0.52) AKR1C3AKR1C1ACHEMMP8MMP3
SCHEMBL8319431 0.90 AKR1C3 (0.39) MMP2MMP9AKR1C3AKR1C1ALDH1A1
SCHEMBL16298352 0.90 AKR1C3 (0.39) MMP2MMP9AKR1C3AKR1C1ALDH1A1
SCHEMBL7971275 0.89 ACHE (0.48) MMP2ALDH1A1GAAACHEATM
SCHEMBL13201300 0.89 LMNA (0.53) MMP2MMP9ALDH1A1ATMLMNA
SCHEMBL2969347 0.89 LMNA (0.53) MMP2MMP9ALDH1A1ATMLMNA
SCHEMBL8320651 0.88 MMP9 (0.62) MMP2MMP9MMP8MMP3MMP1

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