SCHEMBL3457478

SCHEMBL3457478

O=C(NO)C1CC(CC(=O)N2CC[C@@H](O)C2)CCC1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 18/20 1.00
ERBB2 P04626 17/20 1.00
MMP2 P08253 15/20 1.00
MMP9 P14780 6/20 0.79
SIGMAR1 Q99720 1/20 0.47
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MMP3 P08254 1/20 0.44

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
SCHEMBL2174299 1.00 ADAM10 (1.00) ADAM10ERBB2MMP2MMP9SIGMAR1
SCHEMBL2175265 0.88 ADAM10 (1.00) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL2175173 0.87 ADAM10 (1.00) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL2173107 0.87 ADAM10 (1.00) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL2173123 0.86 ADAM10 (1.00) ADAM10ERBB2MMP2MMP9SIGMAR1
SCHEMBL3468338 0.86 ADAM10 (1.00) ADAM10ERBB2MMP2MMP9SIGMAR1
SCHEMBL2172915 0.86 ADAM10 (1.00) ADAM10ERBB2MMP2MMP9SIGMAR1
SCHEMBL2172763 0.81 ADAM10 (0.75) ADAM10ERBB2MMP2MMP9SIGMAR1
SCHEMBL2173597 0.81 ADAM10 (0.68) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2176388 0.81 ADAM10 (0.68) ADAM10ERBB2MMP2MMP9MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007509075-A 2007-04-12 JP claimed
EP-1678167-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES Incyte Corporation (US) 2006-07-12 EP claimed
WO-2005037826-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2005-04-28 WO claimed
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP disclosed
EP-1678167-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES Incyte Corporation (US) 2006-07-12 EP disclosed
WO-2005037826-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2005-04-28 WO disclosed