SCHEMBL6548414

SCHEMBL6548414

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

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 13/20 0.61
MMP2 P08253 10/20 0.61
MMP1 P03956 10/20 0.61
MMP9 P14780 8/20 0.61
MMP7 P09237 3/20 0.61
MMP14 P50281 3/20 0.61
MMP13 P45452 2/20 0.61
MMP8 P22894 1/20 0.56
ADAM17 P78536 5/20 0.41

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
SCHEMBL8391834 0.92 MMP3 (0.50) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7898839 0.88 MMP3 (0.53) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7897166 0.88 MMP3 (0.53) MMP3MMP2MMP1MMP9MMP7
SCHEMBL8651860 0.86 MMP3 (0.54) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7384875 0.85 MMP1 (0.58) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7898741 0.85 MMP1 (0.58) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7427129 0.85 MMP1 (0.58) MMP3MMP2MMP1MMP9MMP7
SCHEMBL6415164 0.85 MMP1 (0.58) MMP3MMP2MMP1MMP9MMP7
SCHEMBL8652723 0.84 GCK (0.51) MMP3MMP2MMP1MMP9MMP7
SCHEMBL8816353 0.84 MMP3 (0.53) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020035065-A1 Selective MMP inhibitors having reduced side-effects BIRD JOHN (GB) 2002-03-21 US claimed
EP-0784629-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES DARWIN DISCOVERY LTD (GB) 1999-04-28 EP claimed
US-6818622-B2 ADMINISTERING OVER A PERIOD OF AT LEAST THREE MONTHS A MATRIX METALLOPROTEINASE INHIBITOR FOR TREATMENT OF A PATIENT HAVING CANCER OR INFLAMMATION DARWIN DISCOVERY LTD. (GB) 2004-11-16 US disclosed
EP-0981366-B1 SELECTIVE MMP INHIBITORS HAVING REDUCED SIDE-EFFECTS DARWIN DISCOVERY LTD (GB) 2004-01-21 EP disclosed
US-20020035065-A1 Selective MMP inhibitors having reduced side-effects BIRD JOHN (GB) 2002-03-21 US disclosed
US-6180611-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR DARWIN DISCOVERY, LTD. (GB) 2001-01-30 US disclosed
EP-0784629-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES DARWIN DISCOVERY LTD (GB) 1999-04-28 EP disclosed