SCHEMBL7606336

SCHEMBL7606336

CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)C(CCN1C(=O)N(C)C(C)(C)C1=O)SC(C)=O)C(C)(C)C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.77
MMP3 P08254 14/20 0.77
MMP9 P14780 13/20 0.77
MMP2 P08253 11/20 0.77
MMP13 P45452 7/20 0.77
MMP7 P09237 3/20 0.77
MMP14 P50281 3/20 0.77
MMP8 P22894 6/20 0.56
ADAM17 P78536 7/20 0.43
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
SCHEMBL6555661 0.92 MMP1 (0.78) MMP1MMP3MMP9MMP2MMP13
SCHEMBL7604548 0.91 MMP3 (0.63) MMP1MMP3MMP9MMP2MMP13
SCHEMBL6766456 0.88 MMP1 (0.67) MMP1MMP3MMP9MMP2MMP13
SCHEMBL14156438 0.88 MMP1 (0.67) MMP1MMP3MMP9MMP2MMP13
Rebimastat SCHEMBL12946005 0.87 MMP1 (1.00) MMP1MMP3MMP9MMP2MMP13
Rebimastat SCHEMBL4826862 0.87 MMP1 (1.00) MMP1MMP3MMP9MMP2MMP13
Rebimastat SCHEMBL2379355 0.87 MMP1 (1.00) MMP1MMP3MMP9MMP2MMP13
Rebimastat SCHEMBL645121 0.87 MMP1 (1.00) MMP1MMP3MMP9MMP2MMP13
Rebimastat SCHEMBL12247619 0.87 MMP1 (1.00) MMP1MMP3MMP9MMP2MMP13
Rebimastat SCHEMBL12247626 0.82 MMP1 (0.90) MMP1MMP3MMP9MMP2MMP13

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-0859784-B1 THIO-SUBSTITUTED PEPTIDES AS INHIBITORS FOR METALLOPROTEINASES AND TNF LIBERATION DARWIN DISCOVERY LTD (GB) 2002-12-18 EP disclosed
US-5981490-A ADMINISTERING A PEPTIDYL COMPOUND FOR TREATMENT IN A HUMAN OR ANIMAL OF A CONDITION ASSOCIATED WITH MATRIX METALIOPROTEINASES OR THAT IS MEDIATED BY TUMOR NECROSIS FACTOR ALPHA OR L-SELECTIN SHEDDASE DARWIN DISCOVERY, LTD. (GB) 1999-11-09 US disclosed