SCHEMBL6947712

SCHEMBL6947712

CC(=O)SC(CCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.55
MMP9 P14780 6/20 0.55
MMP3 P08254 14/20 0.51
MMP2 P08253 6/20 0.51
ANPEP P15144 1/20 0.47
MMP8 P22894 2/20 0.46
MMP7 P09237 2/20 0.45
MMP14 P50281 2/20 0.45
THRB P10828 1/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL6944864 0.90 MMP3 (0.46) MMP1MMP9MMP3MMP2MMP7
SCHEMBL6956564 0.88 KDM4E (0.43) MMP1MMP9MMP3MMP2MMP8
SCHEMBL6956557 0.87 MMP9 (0.58) MMP1MMP9MMP3MMP2ANPEP
SCHEMBL6948615 0.87 MMP1 (0.48) MMP1MMP9MMP3MMP2MMP7
SCHEMBL7452724 0.87 MMP1 (0.48) MMP1MMP9MMP3MMP2MMP7
SCHEMBL6956115 0.87 MMP3 (0.44) MMP1MMP9MMP3MMP2MMP7
SCHEMBL7419821 0.87 MMP3 (0.51) MMP1MMP9MMP3MMP2MMP7
SCHEMBL8387026 0.85 MMP1 (0.59) MMP1MMP9MMP3MMP2MMP8
SCHEMBL6413515 0.85 MMP1 (0.59) MMP1MMP9MMP3MMP2MMP8
SCHEMBL7894400 0.85 MMP1 (0.59) MMP1MMP9MMP3MMP2MMP8

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 5 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-B1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-04-16 EP disclosed
US-5994293-A Peptidyl compounds and their therapeutic use DARWIN DISCOVERY LTD. (GB) 1999-11-30 US disclosed
EP-0824544-A1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-02-25 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