SCHEMBL6948615

SCHEMBL6948615

CC(=O)SC(CCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.48
MMP9 P14780 9/20 0.48
MMP3 P08254 9/20 0.47
MMP2 P08253 4/20 0.46
MMP7 P09237 2/20 0.46
MMP14 P50281 2/20 0.46
NPC1 O15118 1/20 0.45
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
MME P08473 1/20 0.42

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
SCHEMBL7452724 1.00 MMP1 (0.48) MMP1MMP9MMP3MMP2MMP7
SCHEMBL7419821 0.92 MMP3 (0.51) MMP1MMP9MMP3MMP2MMP7
SCHEMBL8764282 0.89 MMP3 (0.43) MMP1MMP9MMP3MMP2MMP7
SCHEMBL8391838 0.89 MMP3 (0.43) MMP1MMP9MMP3MMP2MMP7
SCHEMBL8385695 0.89 MMP3 (0.43) MMP1MMP9MMP3MMP2MMP7
SCHEMBL7420233 0.89 MMP3 (0.52) MMP1MMP9MMP3MMP2MMP7
SCHEMBL6944864 0.88 MMP3 (0.46) MMP1MMP9MMP3MMP2MMP7
SCHEMBL8387018 0.87 MMP3 (0.43) MMP1MMP9MMP3MMP2MMP7
Methylamine SCHEMBL8764733 0.87 MMP3 (0.51) MMP1MMP9MMP3MMP2MMP7
SCHEMBL8385864 0.87 MMP3 (0.42) MMP1MMP9MMP3MMP2MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824544-B1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-04-16 EP claimed
EP-0824544-A1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-02-25 EP claimed
WO-1996035712-A1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO claimed
EP-0824544-B1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-04-16 EP disclosed
US-5994312-A Peptidyl compounds DARWIN DISCOVERY, LTD. (GB) 1999-11-30 US disclosed
US-5994293-A Peptidyl compounds and their therapeutic use DARWIN DISCOVERY LTD. (GB) 1999-11-30 US disclosed
EP-0784629-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES DARWIN DISCOVERY LTD (GB) 1999-04-28 EP disclosed
EP-0824544-A1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-02-25 EP disclosed
EP-0784629-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES Chiroscience Limited (GB) 1997-07-23 EP disclosed
WO-1996035712-A1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO disclosed
WO-1996011209-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES CHIROSCIENCE LIMITED (GB) 1996-04-18 WO disclosed