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SCHEMBL876799

SCHEMBL876799

COc1ccc2nnn(CCC(C(=O)O)N(c3ccc(Oc4ccc(C)cc4)cc3)S(C)(=O)=O)c(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 14/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL877229 0.93 GPR139 (0.51) GPR139NPSR1USP2ALDH1A1GAA
SCHEMBL873796 0.90 GPR139 (0.48) GPR139NPSR1ALDH1A1MMP2MMP9
SCHEMBL874247 0.89 GPR139 (0.44) GPR139NPSR1ALDH1A1
SCHEMBL874163 0.89 GPR139 (0.45) GPR139ALDH1A1HSD17B10MMP2MMP9
SCHEMBL874810 0.86 GPR139 (0.52) GPR139NPSR1ALDH1A1
SCHEMBL876684 0.85 GPR139 (0.52) GPR139NPSR1USP2ALDH1A1HSD17B10
SCHEMBL878345 0.85 GPR139 (0.52) GPR139NPSR1USP2ALDH1A1HSD17B10
SCHEMBL876956 0.84 GPR139 (0.43) GPR139MMP2MMP9
SCHEMBL877710 0.81 GPR139 (0.41) GPR139NPSR1ALDH1A1MMP2MMP9
SCHEMBL875064 0.81 GPR139 (0.49) 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