SCHEMBL28221963

SCHEMBL28221963

CC(C)C[C@H](N)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)OF

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.47
RNPEP Q9H4A4 2/20 0.47
DNPEP Q9ULA0 2/20 0.47
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
LTA4H P09960 1/20 0.42
GPR88 Q9GZN0 1/20 0.41
HPGD P15428 1/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 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
SCHEMBL27926021 0.86 ANPEP (0.56) ANPEPRNPEPDNPEPMMP2MMP9
SCHEMBL30534322 0.86 ANPEP (0.56) ANPEPRNPEPDNPEPMMP2MMP9
SCHEMBL17992892 0.85 ANPEP (0.51) ANPEPRNPEPDNPEPMMP2MMP9
SCHEMBL28221965 0.78 ANPEP (0.47) ANPEPRNPEPDNPEPLTA4HCA12
SCHEMBL14493061 0.77 CTSK (0.46) ANPEPRNPEPDNPEPLTA4HHPGD
SCHEMBL28222736 0.77 ANPEP (0.54) ANPEPRNPEPDNPEPMMP2MMP9
SCHEMBL8016051 0.77 ANPEP (0.54) ANPEPRNPEPDNPEPMMP2MMP9
SCHEMBL23056637 0.76 ANPEP (0.45) ANPEPRNPEPDNPEPMMP2MMP9
SCHEMBL28222761 0.76 ANPEP (0.50) ANPEPRNPEPDNPEPLTA4HGPR88
SCHEMBL3237748 0.76 ANPEP (0.50) ANPEPRNPEPDNPEPLTA4HGPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047304-A - 7 selective depressant of metalloproteinases and its preparation method and application 延边大学 2018-05-18 CN disclosed