SCHEMBL7894397

SCHEMBL7894397

CNC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCN1C(=O)c2ccccc2C1=O)SC(C)=O)C(C)(C)S

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 17/20 0.46
MMP2 P08253 12/20 0.46
MMP1 P03956 12/20 0.46
MMP9 P14780 11/20 0.46
MMP7 P09237 4/20 0.46
MMP14 P50281 4/20 0.46
MMP13 P45452 3/20 0.45
MMP8 P22894 1/20 0.45
NPC1 O15118 1/20 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
SCHEMBL7898839 0.93 MMP3 (0.53) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7897166 0.93 MMP3 (0.53) MMP3MMP2MMP1MMP9MMP7
SCHEMBL8387018 0.92 MMP3 (0.43) MMP3MMP2MMP1MMP9MMP7
SCHEMBL8391838 0.87 MMP3 (0.43) MMP3MMP2MMP1MMP9MMP7
SCHEMBL8385695 0.87 MMP3 (0.43) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7894400 0.85 MMP1 (0.59) MMP3MMP2MMP1MMP9MMP7
SCHEMBL6413515 0.85 MMP1 (0.59) MMP3MMP2MMP1MMP9MMP7
SCHEMBL8387026 0.85 MMP1 (0.59) MMP3MMP2MMP1MMP9MMP7
SCHEMBL6414900 0.83 MMP3 (0.47) MMP3MMP2MMP1MMP9MMP7
SCHEMBL6948615 0.83 MMP1 (0.48) MMP3MMP2MMP1MMP9MMP7

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-0784629-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES DARWIN DISCOVERY LTD (GB) 1999-04-28 EP claimed
US-6180611-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR DARWIN DISCOVERY, LTD. (GB) 2001-01-30 US disclosed