SCHEMBL874425

SCHEMBL874425

Cc1ccc2c(c1)C(=O)N(CCC(C(=O)O)N(c1ccc(-c3ccc(Cl)cc3)cc1)S(C)(=O)=O)C2=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.48
MMP9 P14780 15/20 0.48
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA4 P22748 1/20 0.39
CA12 O43570 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM2 P08172 1/20 0.36

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
SCHEMBL876986 0.86 CA1 (0.44) MMP2MMP9MMP3MMP13CA1
SCHEMBL874167 0.86 LPAR1 (0.49) MMP2MMP9MMP3MMP13CA1
SCHEMBL877592 0.86 MMP2 (0.41) MMP2MMP9MMP3MMP13CA1
SCHEMBL877694 0.85 MMP2 (0.47) MMP2MMP9MMP3MMP13CA1
SCHEMBL876861 0.82 MMP2 (0.55) MMP2MMP9MMP3MMP13
SCHEMBL873568 0.78 GPR139 (0.44) MMP2MMP9MMP3MMP13
SCHEMBL873973 0.78 KDM4E (0.42) MMP2MMP9MMP3MMP13
SCHEMBL877131 0.77 MMP2 (0.64) MMP2MMP9MMP3MMP13
SCHEMBL877277 0.75 MMP2 (0.49) MMP2MMP9MMP3MMP13
SCHEMBL877006 0.74 MMP2 (0.51) MMP2MMP9MMP3MMP13

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