SCHEMBL3458422

SCHEMBL3458422

O=C(NCO)[C@H]1C[C@H](Oc2ccccc2F)CN[C@@H]1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 15/20 0.56
ERBB2 P04626 15/20 0.56
MMP2 P08253 12/20 0.49
MMP9 P14780 6/20 0.43
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
MMP1 P03956 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
MMP3 P08254 4/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5621804 0.90 ADAM10 (0.56) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL6024446 0.87 ADAM10 (0.53) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL6024548 0.85 ADAM10 (0.53) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL6025016 0.84 ADAM10 (0.56) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL3457323 0.83 ADAM10 (0.55) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL6025097 0.83 ADAM10 (0.51) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL3458419 0.83 ADAM10 (0.50) ADAM10ERBB2MMP2MMP9SIGMAR1
SCHEMBL6024991 0.83 ADAM10 (0.54) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL6024771 0.82 ADAM10 (0.50) ADAM10ERBB2MMP2MMP9CTSB
SCHEMBL6024732 0.82 ADAM10 (0.53) ADAM10ERBB2MMP2MMP9CTSB

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
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP claimed
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-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