SCHEMBL6956557

SCHEMBL6956557

CC(C)C[C@H](NC(=O)C(S)CCCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.58
MMP1 P03956 3/20 0.58
MMP3 P08254 10/20 0.53
MMP2 P08253 3/20 0.53
ANPEP P15144 1/20 0.50
MMP8 P22894 2/20 0.48
THRB P10828 1/20 0.48
RAB9A P51151 1/20 0.47
MME P08473 1/20 0.47

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
SCHEMBL6953223 0.90 MMP3 (0.63) MMP9MMP1MMP3MMP2ANPEP
SCHEMBL6947712 0.87 MMP1 (0.55) MMP9MMP1MMP3MMP2ANPEP
SCHEMBL6946905 0.87 HSD17B10 (0.45) MMP9MMP1MMP3MMP2MMP8
SCHEMBL6953525 0.86 MME (0.57) MMP9MMP1MMP3MMP2MME
SCHEMBL6951780 0.86 MMP3 (0.46) MMP9MMP1MMP3MMP2MME
SCHEMBL7384525 0.86 MME (0.58) MMP9MMP1MMP3MMP2MME
SCHEMBL8387108 0.86 MME (0.58) MMP9MMP1MMP3MMP2MME
SCHEMBL7898741 0.84 MMP1 (0.58) MMP9MMP1MMP3MMP2MMP8
SCHEMBL7384875 0.84 MMP1 (0.58) MMP9MMP1MMP3MMP2MMP8
SCHEMBL6415164 0.84 MMP1 (0.58) MMP9MMP1MMP3MMP2MMP8

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