SCHEMBL8510054

SCHEMBL8510054

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
PSMB5 P28074 1/20 0.41
LTA4H P09960 1/20 0.41
MMP1 P03956 7/20 0.41
MMP2 P08253 6/20 0.41
MMP3 P08254 5/20 0.41
MMP9 P14780 3/20 0.40
MMP8 P22894 3/20 0.40
MMP7 P09237 2/20 0.40
FCER2 P06734 1/20 0.40
CTSC P53634 1/20 0.39
LARS1 Q9P2J5 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
SCHEMBL7400676 0.91 ANPEP (0.44) ANPEPRNPEPDNPEPPSMB5LTA4H
SCHEMBL8764880 0.90 ANPEP (0.42) ANPEPRNPEPDNPEPLTA4HMMP1
SCHEMBL7403732 0.90 LTA4H (0.42) ANPEPRNPEPDNPEPLTA4HMMP1
SCHEMBL8015476 0.86 ACE (0.43) ANPEPRNPEPDNPEPMMP1MMP2
SCHEMBL7408304 0.86 MMP1 (0.45) ANPEPRNPEPDNPEPLTA4HMMP1
SCHEMBL6418589 0.85 ANPEP (0.44) ANPEPRNPEPDNPEPMMP1MMP2
SCHEMBL6414163 0.84 ANPEP (0.47) ANPEPRNPEPDNPEPMMP1MMP2
SCHEMBL7397719 0.84 ELANE (0.44) ANPEPRNPEPDNPEPMMP1MMP2
SCHEMBL6414041 0.83 MME (0.48) ANPEPRNPEPDNPEPMMP1MMP2
SCHEMBL7403302 0.83 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP8

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
US-5981491-A PEPTIDES; METALLOENZYMES; TUMOR NECROSIS FACTOR DARWIN DISCOVERY LIMITED (GB) 1999-11-09 US disclosed