SCHEMBL9010548

SCHEMBL9010548

CNC(=O)C(NC(=O)N(O)C(=O)[C@@H](O)CCC(C)C)C(C)(C)C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.33
MMP1 P03956 13/20 0.33
MMP3 P08254 10/20 0.33
MMP9 P14780 9/20 0.33
MMP2 P08253 7/20 0.33
MMP8 P22894 4/20 0.33
MMP13 P45452 3/20 0.33
MMP7 P09237 2/20 0.33
MMP14 P50281 2/20 0.33
TNF P01375 2/20 0.33
MMP20 O60882 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP10 P09238 1/20 0.33
MMP12 P39900 1/20 0.33
MMP15 P51511 1/20 0.33
MMP16 P51512 1/20 0.33
MMP25 Q9NPA2 1/20 0.33
MMP26 Q9NRE1 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
MMP24 Q9Y5R2 1/20 0.33

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
SCHEMBL9010562 0.87 ADAM17 (0.34) ADAM17MMP1MMP3MMP9MMP2
SCHEMBL7513209 0.86 MMP1 (0.44) ADAM17MMP1MMP3MMP9MMP2
SCHEMBL9010568 0.85 MMP1 (0.35) ADAM17MMP1MMP3MMP9MMP2
SCHEMBL8422654 0.84 MMP1 (0.34) ADAM17MMP1MMP3MMP9MMP2
SCHEMBL8198199 0.82 ADAM17 (0.34) ADAM17MMP1MMP3MMP9MMP2
SCHEMBL8189731 0.81 MMP1 (0.32) ADAM17MMP1MMP3MMP9MMP2
SCHEMBL8424797 0.81 MMP1 (0.32) ADAM17MMP1MMP3MMP9MMP2
SCHEMBL8197269 0.77 MMP1 (0.42) ADAM17MMP1MMP3MMP9MMP2
SCHEMBL8197822 0.77 MMP1 (0.42) ADAM17MMP1MMP3MMP9MMP2
SCHEMBL8026129 0.77 MMP3 (0.40) ADAM17MMP1MMP3MMP9MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0740655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP disclosed
WO-1995019961-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO disclosed