SCHEMBL7561050

SCHEMBL7561050

C=C([C](C(=O)[C@H](CC(C)CCC(C)O)N(C)C(=O)[C@H](CC(C)CCC(O)Cc1ccccc1)NC)C(O)Cc1ccccc1)C(=O)[C@H](CC(C)CCC(C)S)N(C)C(=O)[C@H](CC(C)C)NC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.33
ACE P12821 1/20 0.32
MMP2 P08253 2/20 0.31
MMP9 P14780 1/20 0.31
BACE1 P56817 2/20 0.30
LTA4H P09960 1/20 0.30
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
CTSD P07339 1/20 0.30
CTSE P14091 1/20 0.30

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
SCHEMBL7475849 0.75 BACE1 (0.37) MMEACEMMP2MMP9BACE1
SCHEMBL9101106 0.75 ACE (0.37) MMEACEMMP2MMP9BACE1
SCHEMBL7534852 0.74 MME (0.47) MMEACEMMP2LTA4HMMP1
SCHEMBL8652349 0.71 LTA4H (0.43) MMEACEMMP2LTA4HMMP1
SCHEMBL8129676 0.70 ACACB (0.38) BACE1CTSDCTSE
SCHEMBL9069940 0.68 CTSK (0.34) BACE1CTSDCTSE
SCHEMBL8708285 0.66 MAPT (0.30)
Xenortide A SCHEMBL29886039 0.62 ANPEP (0.52) MMP2MMP9MMP3
SCHEMBL17992991 0.62 MMP1 (0.50) ACEMMP2MMP9MMP1MMP3
SCHEMBL17992833 0.62 MMP1 (0.50) ACEMMP2MMP9MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192142-A1 CYCLO-IMINO DEPSIPEPTIDES AND THEIR UTILIZATION IN CONTROLLING ENDOPARASITES Bayer Aktiengesellschaft (DE) 2002-04-03 EP disclosed
WO-2000076985-A1 CYCLO-IMINO DEPSIPEPTIDES AND THEIR UTILIZATION IN CONTROLLING ENDOPARASITES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-21 WO disclosed