SCHEMBL7426808

SCHEMBL7426808

CC(C)CC(NC(Cn1ccn(CCc2ccccc2)c1=O)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.46
MMP9 P14780 5/20 0.46
MMP3 P08254 2/20 0.42
MME P08473 2/20 0.42
ACE P12821 2/20 0.41
NTSR1 P30989 1/20 0.41
ANPEP P15144 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL5870089 0.90 ANPEP (0.38) MMP1MMP9MMP3ANPEP
SCHEMBL5870321 0.90 ANPEP (0.38) MMP1MMP9MMP3ANPEP
SCHEMBL5870317 0.90 ANPEP (0.38) MMP1MMP9MMP3ANPEP
SCHEMBL5869290 0.88 MAPK1 (0.44) MMP1MMP9MMP3ACENTSR1
SCHEMBL5869703 0.88 MMP1 (0.48) MMP1MMP9MMP3NTSR1ANPEP
SCHEMBL5870188 0.88 MMP1 (0.48) MMP1MMP9MMP3NTSR1ANPEP
SCHEMBL5869287 0.88 MAPK1 (0.44) MMP1MMP9MMP3ACENTSR1
SCHEMBL5869299 0.88 MAPK1 (0.44) MMP1MMP9MMP3ACENTSR1
SCHEMBL5870191 0.88 MMP1 (0.48) MMP1MMP9MMP3NTSR1ANPEP
SCHEMBL5869775 0.88 ACE (0.47) MMP1MMP9MMP3MMEACE

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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed