SCHEMBL877131

SCHEMBL877131

COc1ccc(-c2ccc(N(C(CCN3C(=O)c4ccccc4C3=O)C(=O)O)S(C)(=O)=O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.64
MMP9 P14780 13/20 0.64
MMP1 P03956 4/20 0.56
MMP14 P50281 3/20 0.56
MMP3 P08254 2/20 0.56
MMP13 P45452 2/20 0.56
ALDH1A1 P00352 1/20 0.48
RPS6KA2 Q15349 1/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL876385 0.97 MMP2 (0.59) MMP2MMP9MMP1MMP14MMP3
SCHEMBL876861 0.92 MMP2 (0.55) MMP2MMP9MMP1MMP14MMP3
SCHEMBL877176 0.87 MMP2 (0.48) MMP2MMP9MMP1MMP14MMP3
SCHEMBL877694 0.86 MMP2 (0.47) MMP2MMP9MMP1MMP14MMP3
SCHEMBL877277 0.84 MMP2 (0.49) MMP2MMP9MMP1MMP14MMP3
SCHEMBL877006 0.83 MMP2 (0.51) MMP2MMP9MMP3MMP13ALDH1A1
SCHEMBL874167 0.79 LPAR1 (0.49) MMP2MMP9MMP3MMP13ALDH1A1
SCHEMBL874425 0.77 MMP2 (0.48) MMP2MMP9MMP3MMP13
SCHEMBL878345 0.75 GPR139 (0.52) MMP2MMP9MMP1MMP3MMP13
SCHEMBL876684 0.75 GPR139 (0.52) MMP2MMP9MMP1MMP3MMP13

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP claimed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO claimed
EP-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed