SCHEMBL8319548

SCHEMBL8319548

CC(C)(C)c1ccc(S(=O)(=O)N2[C@@H](C(=O)NO)C[C@H]3CCC[C@H]32)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
HSD11B1 P28845 10/20 0.51
EPHX2 P34913 1/20 0.47
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL13479959 1.00 ACHE (0.53) ACHEHSD11B1EPHX2MMP2MMP9
SCHEMBL8326181 0.89 MMP8 (0.52) EPHX2MMP2MMP9MMP12MEN1
SCHEMBL13480219 0.87 ACHE (0.56) ACHEHSD11B1EPHX2LMNAGAA
SCHEMBL8326043 0.87 ACHE (0.56) ACHEHSD11B1EPHX2LMNAGAA
SCHEMBL8324754 0.87 MMP2 (0.48) EPHX2MMP2MMP9MMP12
SCHEMBL2963202 0.87 MMP2 (0.48) EPHX2MMP2MMP9MMP12
SCHEMBL13201315 0.86 MMP2 (0.46) EPHX2MMP2MMP9MMP12
SCHEMBL13201339 0.85 MMP2 (0.46) MMP2MMP9MMP12GAAALDH1A1
SCHEMBL8324756 0.85 MMP2 (0.46) MMP2MMP9MMP12GAAALDH1A1
SCHEMBL8319091 0.85 MMP9 (0.46) MMP2MMP9MMP12

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