SCHEMBL6950677

SCHEMBL6950677

CC(=O)SC(CCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 6/20 0.60
MMP3 P08254 5/20 0.60
MMP1 P03956 4/20 0.60
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 2/20 0.46
MMP2 P08253 4/20 0.43
MMP8 P22894 4/20 0.43
PSMB5 P28074 5/20 0.43
PSMB11 A5LHX3 2/20 0.43
PSMA7 O14818 2/20 0.43
PSMB1 P20618 2/20 0.43
PSMA1 P25786 2/20 0.43
PSMA2 P25787 2/20 0.43
PSMA3 P25788 2/20 0.43
PSMA4 P25789 2/20 0.43
PSMB8 P28062 2/20 0.43
PSMB9 P28065 2/20 0.43
PSMA5 P28066 2/20 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
SCHEMBL6951429 0.88 MMP3 (0.46) MMP9MMP3MMP1MEN1KMT2A
SCHEMBL6944864 0.87 MMP3 (0.46) MMP9MMP3MMP1MMP2
SCHEMBL6947712 0.85 MMP1 (0.55) MMP9MMP3MMP1MMP2MMP8
SCHEMBL6956115 0.84 MMP3 (0.44) MMP9MMP3MMP1MEN1KMT2A
SCHEMBL6952213 0.83 KDM4E (0.43) MMP9MMP3MMP1KMT2AKDM4E
SCHEMBL7452724 0.82 MMP1 (0.48) MMP9MMP3MMP1MMP2
SCHEMBL6948615 0.82 MMP1 (0.48) MMP9MMP3MMP1MMP2
SCHEMBL6956564 0.82 KDM4E (0.43) MMP9MMP3MMP1MEN1KMT2A
SCHEMBL6950920 0.81 MMP3 (0.47) MMP9MMP3MMP1MMP2
SCHEMBL6953482 0.80 ALDH1A1 (0.49) MMP9MMP3MMP1MMP2MMP8

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 3 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