SCHEMBL8537844

SCHEMBL8537844

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 12/20 0.54
MMP1 P03956 12/20 0.54
MMP9 P14780 9/20 0.54
MMP2 P08253 11/20 0.52
MMP8 P22894 4/20 0.52
ADAM17 P78536 4/20 0.52
MMP13 P45452 3/20 0.52
MMP14 P50281 2/20 0.52
CYP2D6 P10635 1/20 0.44
MMP7 P09237 2/20 0.40
TNF P01375 2/20 0.40
MMP20 O60882 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP10 P09238 1/20 0.40
MMP12 P39900 1/20 0.40
MMP15 P51511 1/20 0.40
MMP16 P51512 1/20 0.40
MMP25 Q9NPA2 1/20 0.40
MMP26 Q9NRE1 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40

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
SCHEMBL5098019 0.88 MMP1 (0.67) MMP3MMP1MMP9MMP2MMP8
SCHEMBL9714246 0.88 MMP1 (0.67) MMP3MMP1MMP9MMP2MMP8
SCHEMBL8777512 0.83 MMP3 (0.59) MMP3MMP1MMP9MMP2MMP8
SCHEMBL8050661 0.77 MMP1 (0.48) MMP3MMP1MMP9MMP2MMP8
SCHEMBL4634097 0.77 MMP1 (0.71) MMP3MMP1MMP9MMP2MMP8
SCHEMBL4634101 0.77 MMP1 (0.71) MMP3MMP1MMP9MMP2MMP8
SCHEMBL8773906 0.77 MME (0.55) MMP9MMP2MMP8MMP13MMP7
SCHEMBL15116513 0.75 KISS1R (0.43) MMP3MMP1MMP9MMP2MMP8
SCHEMBL20054394 0.75 KISS1R (0.43) MMP3MMP1MMP9MMP2MMP8
SCHEMBL9068163 0.73 CTSS (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849951-A Synthesis of carboxylic and hydroxamic acid derivatives BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-12-15 US disclosed
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