SCHEMBL877176

SCHEMBL877176

COc1ccc(-c2ccc(N(C(CCN3C(=O)c4ccccc4C3=O)C(=O)O)S(C)(=O)=O)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.48
MMP9 P14780 11/20 0.48
MMP1 P03956 3/20 0.44
MMP3 P08254 2/20 0.44
MMP13 P45452 2/20 0.44
MMP14 P50281 2/20 0.44
OXTR P30559 9/20 0.43
AVPR2 P30518 3/20 0.40
AVPR1A P37288 3/20 0.40

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
SCHEMBL877131 0.87 MMP2 (0.64) MMP2MMP9MMP1MMP3MMP13
SCHEMBL876861 0.86 MMP2 (0.55) MMP2MMP9MMP1MMP3MMP13
SCHEMBL876385 0.83 MMP2 (0.59) MMP2MMP9MMP1MMP3MMP13
SCHEMBL877235 0.81 MMP2 (0.46) MMP2MMP9MMP1MMP3MMP13
SCHEMBL877886 0.81 MMP2 (0.46) MMP2MMP9MMP1MMP3MMP13
SCHEMBL877277 0.79 MMP2 (0.49) MMP2MMP9MMP1MMP3MMP13
SCHEMBL877006 0.78 MMP2 (0.51) MMP2MMP9MMP3MMP13
SCHEMBL873794 0.76 GPR139 (0.42) MMP2MMP9MMP1MMP3MMP13
SCHEMBL4932775 0.75 MMP2 (0.45) MMP2MMP9MMP1MMP3MMP13
SCHEMBL1844730 0.75 MMP2 (0.45) MMP2MMP9MMP1MMP3MMP13

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