SCHEMBL8777512

SCHEMBL8777512

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 12/20 0.59
MMP1 P03956 8/20 0.59
MMP9 P14780 5/20 0.59
MMP2 P08253 15/20 0.58
MMP8 P22894 1/20 0.57
MMP13 P45452 1/20 0.57
MMP14 P50281 1/20 0.57
ADAM17 P78536 1/20 0.57
MME P08473 2/20 0.52
MMP7 P09237 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
SCHEMBL4633112 0.87 MMP3 (0.74) MMP3MMP1MMP9MMP2MMP8
SCHEMBL5088865 0.87 MMP3 (0.74) MMP3MMP1MMP9MMP2MMP8
SCHEMBL8773896 0.86 MME (0.60) MMP3MMP1MMP9MMP2MMP8
SCHEMBL8537844 0.83 MMP3 (0.54) MMP3MMP1MMP9MMP2MMP8
SCHEMBL8042121 0.79 MMP2 (0.78) MMP3MMP1MMP9MMP2MMP7
SCHEMBL8777504 0.77 MMP2 (0.57) MMP3MMP1MMP9MMP2MMP8
SCHEMBL7758593 0.76 MMP2 (0.69) MMP3MMP1MMP9MMP2MMP8
SCHEMBL21994104 0.76 MME (0.67) MMP3MMP1MMP9MMP2MMP8
SCHEMBL7758581 0.74 MMP3 (0.61) MMP3MMP1MMP9MMP2MMP8
SCHEMBL8533445 0.73 MMP3 (0.45) MMP3MMP1MMP9MMP2MMP8

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