SCHEMBL5636675

SCHEMBL5636675

O=C(NO)C1CC(OC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 20/20 1.00
ERBB2 P04626 19/20 1.00
MMP2 P08253 16/20 1.00
MMP8 P22894 1/20 0.74
MMP12 P39900 1/20 0.74
ADAM17 P78536 1/20 0.74
MMP1 P03956 1/20 0.73
MMP9 P14780 2/20 0.68
MMP3 P08254 1/20 0.49

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
SCHEMBL2177413 1.00 ADAM10 (1.00) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2174794 1.00 ADAM10 (1.00) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2174785 1.00 ADAM10 (1.00) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2175622 0.98 ADAM10 (0.96) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2175626 0.98 ADAM10 (0.96) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2174668 0.95 ADAM10 (0.98) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2174680 0.95 ADAM10 (0.98) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2172912 0.94 ADAM10 (0.95) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2172920 0.94 ADAM10 (0.95) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL3457411 0.87 ADAM10 (0.84) ADAM10ERBB2MMP2MMP8MMP12

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 3 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