SCHEMBL8777482

SCHEMBL8777482

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 17/20 0.44
MMP1 P03956 15/20 0.44
MMP2 P08253 11/20 0.44
MMP9 P14780 8/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
ADAM17 P78536 1/20 0.44
MMP7 P09237 4/20 0.38
PDF Q9HBH1 3/20 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
SCHEMBL8777469 0.84 MMP1 (0.49) MMP3MMP1MMP2MMP9MMP8
SCHEMBL8777489 0.77 MMP2 (0.46) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7372625 0.77 MMP2 (0.51) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7410230 0.76 MMP3 (0.44) MMP3MMP1MMP2MMP9MMP8
SCHEMBL8197037 0.76 MMP3 (0.47) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7596890 0.76 MMP1 (0.52) MMP3MMP1MMP2MMP9MMP8
SCHEMBL8189622 0.76 MMP3 (0.47) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7406850 0.76 MMP2 (0.50) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7368610 0.74 ANPEP (0.43) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7600843 0.74 MMP1 (0.48) MMP3MMP1MMP2MMP9MMP8

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