SCHEMBL6944864

SCHEMBL6944864

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 15/20 0.46
MMP1 P03956 10/20 0.46
NPC1 O15118 1/20 0.43
MMP9 P14780 9/20 0.43
MMP2 P08253 7/20 0.43
CAPN1 P07384 1/20 0.43
MMP7 P09237 2/20 0.42
MMP14 P50281 2/20 0.42
GAA P10253 1/20 0.39

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
SCHEMBL6947712 0.90 MMP1 (0.55) MMP3MMP1MMP9MMP2MMP7
SCHEMBL6956115 0.89 MMP3 (0.44) MMP3MMP1NPC1MMP9MMP2
SCHEMBL7452724 0.88 MMP1 (0.48) MMP3MMP1NPC1MMP9MMP2
SCHEMBL6948615 0.88 MMP1 (0.48) MMP3MMP1NPC1MMP9MMP2
SCHEMBL6950677 0.87 MMP9 (0.60) MMP3MMP1MMP9MMP2
SCHEMBL6956564 0.87 KDM4E (0.43) MMP3MMP1NPC1MMP9MMP2
SCHEMBL6953482 0.85 ALDH1A1 (0.49) MMP3MMP1MMP9MMP2
SCHEMBL6952213 0.85 KDM4E (0.43) MMP3MMP1NPC1MMP9MMP2
SCHEMBL6947006 0.84 MAPT (0.48) MMP1NPC1MMP9MMP2GAA
SCHEMBL7419821 0.84 MMP3 (0.51) MMP3MMP1MMP9MMP2MMP7

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