SCHEMBL4208583

SCHEMBL4208583

Cc1ccc2nnn(CC[C@@H](C(=O)O)[C@H](O)CCc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 16/20 0.46
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP3 P08254 2/20 0.37
MMP9 P14780 2/20 0.37
MMP13 P45452 2/20 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
SCHEMBL1843884 1.00 GPR139 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL4208578 1.00 GPR139 (0.46) GPR139MMP1MMP2MMP3MMP9
SCHEMBL1843434 0.93 GPR139 (0.40) GPR139MMP1MMP2MMP3MMP9
SCHEMBL1844584 0.90 GPR139 (0.44) GPR139MMP1MMP2MMP3MMP9
SCHEMBL4214552 0.90 GPR139 (0.44) GPR139MMP1MMP2MMP3MMP9
SCHEMBL1841375 0.90 GPR139 (0.53) GPR139MMP1MMP2MMP3MMP9
SCHEMBL4210096 0.88 GPR139 (0.39) GPR139MMP1MMP2MMP3MMP9
SCHEMBL1843663 0.88 GPR139 (0.39) GPR139MMP1MMP2MMP3MMP9
SCHEMBL379750 0.88 GPR139 (0.48) GPR139MMP1MMP2MMP3MMP9
SCHEMBL4222057 0.88 GPR139 (0.48) 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-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP disclosed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO disclosed