SCHEMBL4371607

SCHEMBL4371607

COCCN/C(=N/C#N)N(O)C(=O)[C@@H](CCCCN)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.44
MMP9 P14780 4/20 0.44
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
MMP13 P45452 6/20 0.39
MMP3 P08254 5/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
BMP1 P13497 3/20 0.37
MMP8 P22894 1/20 0.37
MMP7 P09237 1/20 0.37
MMP12 P39900 1/20 0.37
MMP14 P50281 1/20 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
SCHEMBL4372216 0.93 MMP2 (0.37) MMP2MMP9ITGB3ITGA2BMMP13
SCHEMBL4374166 0.92 MMP2 (0.45) MMP2MMP9ITGB3ITGA2BMMP13
SCHEMBL4373799 0.85 MMP2 (0.38) MMP2MMP9ITGB3ITGA2BMMP13
SCHEMBL4374349 0.85 MMP2 (0.46) MMP2MMP9ITGB3ITGA2BMMP13
SCHEMBL4369114 0.85 MMP2 (0.40) MMP2MMP9MMP13MMP3MMP7
SCHEMBL4374481 0.84 MMP2 (0.50) MMP2MMP9ITGB3ITGA2BMMP13
SCHEMBL4372240 0.81 MMP2 (0.41) MMP2MMP9MMP13MMP3MMP8
SCHEMBL4369622 0.80 MMP2 (0.35) MMP2MMP9ITGB3ITGA2B
SCHEMBL4369618 0.78 BMP1 (0.51) MMP2MMP9MMP13MMP3BMP1
SCHEMBL7174227 0.73 CA2 (0.34) MMP2MMP9MMP13MMP3MMP8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed