SCHEMBL8385113

SCHEMBL8385113

CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)C(CSc1cccs1)C(=O)NO)C(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.69
MMP2 P08253 10/20 0.69
MMP1 P03956 10/20 0.69
MMP3 P08254 8/20 0.69
MMP9 P14780 6/20 0.69
MMP8 P22894 6/20 0.69
MMP13 P45452 5/20 0.69
MMP7 P09237 5/20 0.69
MMP14 P50281 3/20 0.69
FCER2 P06734 2/20 0.69
TNF P01375 2/20 0.59
MMP20 O60882 1/20 0.55
ADAMTS4 O75173 1/20 0.55
MMP10 P09238 1/20 0.55
MMP12 P39900 1/20 0.55
MMP15 P51511 1/20 0.55
MMP16 P51512 1/20 0.55
MMP25 Q9NPA2 1/20 0.55
MMP26 Q9NRE1 1/20 0.55
ADAMTS5 Q9UNA0 1/20 0.55

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
SCHEMBL6804380 0.87 MMP1 (0.59) ADAM17MMP2MMP1MMP3MMP9
Batimastat SCHEMBL2777573 0.87 MMP1 (0.80) ADAM17MMP2MMP1MMP3MMP9
Batimastat SCHEMBL12561510 0.82 MMP1 (1.00) ADAM17MMP2MMP1MMP3MMP9
Batimastat SCHEMBL10052355 0.82 MMP1 (1.00) ADAM17MMP2MMP1MMP3MMP9
Batimastat SCHEMBL17521974 0.82 MMP1 (1.00) ADAM17MMP2MMP1MMP3MMP9
Batimastat SCHEMBL12336015 0.82 MMP1 (1.00) ADAM17MMP2MMP1MMP3MMP9
Batimastat SCHEMBL4333 0.82 MMP1 (1.00) ADAM17MMP2MMP1MMP3MMP9
Batimastat SCHEMBL22803645 0.82 MMP1 (1.00) ADAM17MMP2MMP1MMP3MMP9
Batimastat SCHEMBL20793035 0.82 MMP1 (1.00) ADAM17MMP2MMP1MMP3MMP9
Batimastat SCHEMBL4332 0.82 MMP1 (1.00) ADAM17MMP2MMP1MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793641-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1999-04-21 EP disclosed