SCHEMBL876683

SCHEMBL876683

COc1ccc(-c2ccc(N([C@H](CCn3nnc4cc(C(F)(F)F)ccc4c3=O)C(=O)O)S(C)(=O)=O)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 11/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.36
GCGR P47871 3/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ABCB11 O95342 1/20 0.33

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
SCHEMBL876807 0.91 GPR139 (0.42) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877097 0.90 EIF4EBP1 (0.39) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877310 0.89 MMP1 (0.44) GPR139MMP1MMP2MMP3MMP9
SCHEMBL874055 0.89 MMP1 (0.44) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877066 0.89 MMP1 (0.44) GPR139MMP1MMP2MMP3MMP9
SCHEMBL874766 0.87 GPR139 (0.39) GPR139PTGDR2MMP1MMP2MMP3
SCHEMBL876621 0.87 GPR139 (0.40) GPR139PTGDR2GCGRMMP1MMP2
SCHEMBL877960 0.87 GPR139 (0.42) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877710 0.86 GPR139 (0.41) GPR139MMP1MMP2MMP3MMP9
SCHEMBL878146 0.84 GPR139 (0.41) 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 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