SCHEMBL873794

SCHEMBL873794

COc1ccc2c(=O)n(CCC(C(=O)O)N(c3ccc(-c4ccc(OC)nc4)cc3)S(C)(=O)=O)nnc2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 9/20 0.42
MMP1 P03956 3/20 0.39
MMP2 P08253 3/20 0.39
MMP3 P08254 3/20 0.39
MMP9 P14780 3/20 0.39
MMP13 P45452 3/20 0.39
OXTR P30559 6/20 0.38
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AVPR2 P30518 3/20 0.35
AVPR1A P37288 3/20 0.35

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
SCHEMBL877235 0.90 MMP2 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877886 0.90 MMP2 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL876621 0.90 GPR139 (0.40) GPR139MMP1MMP2MMP3MMP9
SCHEMBL874810 0.90 GPR139 (0.52) GPR139NPSR1ALDH1A1SMN1; SMN2
SCHEMBL876807 0.86 GPR139 (0.42) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877229 0.85 GPR139 (0.51) GPR139MMP2MMP9NPSR1ALDH1A1
SCHEMBL877287 0.82 MMP1 (0.47) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877837 0.82 MMP1 (0.47) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877887 0.81 MMP2 (0.42) GPR139MMP1MMP2MMP3MMP9
SCHEMBL878345 0.81 GPR139 (0.52) GPR139MMP1MMP2MMP3MMP9

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