SCHEMBL877694

SCHEMBL877694

COc1ccc(N(C(CCN2C(=O)c3ccc(C)cc3C2=O)C(=O)O)S(C)(=O)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.47
MMP9 P14780 6/20 0.47
PDE10A Q9Y233 1/20 0.42
MMP1 P03956 3/20 0.42
MMP14 P50281 2/20 0.42
MMP3 P08254 2/20 0.42
MMP13 P45452 2/20 0.42
LPAR1 Q92633 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM2 P08172 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL874167 0.93 LPAR1 (0.49) MMP2MMP9MMP3MMP13LPAR1
SCHEMBL876385 0.89 MMP2 (0.59) MMP2MMP9MMP1MMP14MMP3
SCHEMBL876986 0.87 CA1 (0.44) MMP2MMP9MMP3MMP13KEAP1
SCHEMBL877131 0.86 MMP2 (0.64) MMP2MMP9MMP1MMP14MMP3
SCHEMBL874425 0.85 MMP2 (0.48) MMP2MMP9MMP3MMP13CHRM2
SCHEMBL876861 0.77 MMP2 (0.55) MMP2MMP9MMP1MMP14MMP3
SCHEMBL877277 0.76 MMP2 (0.49) MMP2MMP9MMP1MMP14MMP3
SCHEMBL877006 0.75 MMP2 (0.51) MMP2MMP9MMP3MMP13ALDH1A1
SCHEMBL6727028 0.74 DUT (0.49) MMP2MMP9MMP1MMP14MMP3
SCHEMBL877592 0.74 MMP2 (0.41) MMP2MMP9MMP1MMP14MMP3

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