SCHEMBL877229

SCHEMBL877229

COc1ccc2c(=O)n(CCC(C(=O)O)N(c3ccc(Oc4ccc(C)cc4)cc3)S(C)(=O)=O)nnc2c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 13/20 0.51
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37

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
SCHEMBL876799 0.93 GPR139 (0.51) GPR139NPSR1ALDH1A1USP2GAA
SCHEMBL874810 0.93 GPR139 (0.52) GPR139NPSR1ALDH1A1SMN1; SMN2
SCHEMBL874163 0.89 GPR139 (0.45) GPR139ALDH1A1SMN1; SMN2HSD17B10MMP2
SCHEMBL876956 0.89 GPR139 (0.43) GPR139SMN1; SMN2MMP2MMP9
SCHEMBL873794 0.85 GPR139 (0.42) GPR139NPSR1ALDH1A1SMN1; SMN2MMP2
SCHEMBL876684 0.85 GPR139 (0.52) GPR139NPSR1ALDH1A1SMN1; SMN2USP2
SCHEMBL878345 0.85 GPR139 (0.52) GPR139NPSR1ALDH1A1SMN1; SMN2USP2
SCHEMBL876807 0.84 GPR139 (0.42) GPR139NPSR1ALDH1A1SMN1; SMN2MMP2
SCHEMBL874812 0.84 GPR139 (0.46) GPR139SMN1; SMN2MMP2MMP9
SCHEMBL873796 0.83 GPR139 (0.48) GPR139NPSR1ALDH1A1MMP2MMP9

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 2 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 disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed