SCHEMBL7420233

SCHEMBL7420233

CC(=O)SC(CCCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 11/20 0.52
MMP1 P03956 8/20 0.52
MMP2 P08253 8/20 0.51
MMP9 P14780 8/20 0.51
MMP7 P09237 4/20 0.51
MMP14 P50281 3/20 0.51
MME P08473 1/20 0.44
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43

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
Methylamine SCHEMBL8764733 0.98 MMP3 (0.51) MMP3MMP1MMP2MMP9MMP7
SCHEMBL7419821 0.97 MMP3 (0.51) MMP3MMP1MMP2MMP9MMP7
Formamide SCHEMBL8764728 0.96 MMP3 (0.49) MMP3MMP1MMP2MMP9MMP7
SCHEMBL8387059 0.94 MMP1 (0.49) MMP3MMP1MMP2MMP9MMP7
SCHEMBL6411992 0.93 MMP1 (0.59) MMP3MMP1MMP2MMP9MMP7
SCHEMBL7894400 0.90 MMP1 (0.59) MMP3MMP1MMP2MMP9MMP7
SCHEMBL8387026 0.90 MMP1 (0.59) MMP3MMP1MMP2MMP9MMP7
SCHEMBL6413515 0.90 MMP1 (0.59) MMP3MMP1MMP2MMP9MMP7
SCHEMBL7452724 0.89 MMP1 (0.48) MMP3MMP1MMP2MMP9MMP7
SCHEMBL6948615 0.89 MMP1 (0.48) MMP3MMP1MMP2MMP9MMP7

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 6 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
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
EP-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed
WO-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO disclosed
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed