SCHEMBL8777469

SCHEMBL8777469

C=C(C)N(O)C(=O)C[C@@H](CC(C)C)C(=O)NC(C(=O)NC(C)C)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.49
MMP3 P08254 11/20 0.49
MMP9 P14780 9/20 0.49
MMP2 P08253 8/20 0.49
ADAM17 P78536 6/20 0.49
MMP8 P22894 4/20 0.49
MMP13 P45452 4/20 0.49
MMP14 P50281 2/20 0.49
MMP7 P09237 3/20 0.36
TNF P01375 2/20 0.36
MMP20 O60882 1/20 0.36
ADAMTS4 O75173 1/20 0.36
MMP10 P09238 1/20 0.36
MMP12 P39900 1/20 0.36
MMP15 P51511 1/20 0.36
MMP16 P51512 1/20 0.36
MMP25 Q9NPA2 1/20 0.36
MMP26 Q9NRE1 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
MMP24 Q9Y5R2 1/20 0.36

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
SCHEMBL8777489 0.85 MMP2 (0.46) MMP1MMP3MMP9MMP2ADAM17
SCHEMBL8777482 0.84 MMP3 (0.44) MMP1MMP3MMP9MMP2ADAM17
SCHEMBL7372625 0.82 MMP2 (0.51) MMP1MMP3MMP9MMP2ADAM17
SCHEMBL7410230 0.82 MMP3 (0.44) MMP1MMP3MMP9MMP2ADAM17
SCHEMBL7596890 0.81 MMP1 (0.52) MMP1MMP3MMP9MMP2ADAM17
SCHEMBL7406850 0.81 MMP2 (0.50) MMP1MMP3MMP9MMP2ADAM17
SCHEMBL7368610 0.79 ANPEP (0.43) MMP1MMP3MMP9MMP2ADAM17
SCHEMBL7600843 0.79 MMP1 (0.48) MMP1MMP3MMP9MMP2ADAM17
SCHEMBL7371930 0.79 HSPA5 (0.48) MMP1MMP3MMP9MMP2ADAM17
SCHEMBL7411762 0.79 MMP1 (0.58) MMP1MMP3MMP9MMP2ADAM17

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-0812312-A1 SYNTHESIS OF CARBOXYLIC AND HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-12-17 EP disclosed
WO-1996026918-A1 SYNTHESIS OF CARBOXYLIC AND HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-09-06 WO disclosed