SCHEMBL16081611

SCHEMBL16081611

CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCCC1C(=O)N(N)[C@H](C=O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.40
▸ NMUR2 Q9GZQ4 2/20 0.39
▸ NMUR1 Q9HB89 1/20 0.39
▸ CTSD P07339 1/20 0.39
▸ CTSE P14091 1/20 0.39
▸ ACE P12821 2/20 0.39
▸ REN P00797 1/20 0.39
▸ KEAP1 Q14145 8/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ ACE2 Q9BYF1 1/20 0.37
▸ CAPN1 P07384 2/20 0.36

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
SCHEMBL2399597 0.83 F2 (0.45) F2NMUR2NMUR1ACEREN
SCHEMBL3658601 0.83 F2 (0.45) F2NMUR2NMUR1ACEREN
SCHEMBL30434139 0.77 ACE (0.54) F2NMUR2ACERENACE2
SCHEMBL30435100 0.74 CAPN1 (0.45) NMUR2ACERENCAPN1
SCHEMBL30434874 0.73 ACE (0.54) F2ACERENACE2
SCHEMBL2195410 0.72 ACE (0.50) F2ACERENACE2
SCHEMBL30434949 0.72 ACE (0.55) F2ACERENACE2
SCHEMBL15485412 0.72 F2 (0.41) F2NMUR2NMUR1ACE
SCHEMBL30435240 0.72 NTSR2 (0.46) ACEREN
SCHEMBL30434738 0.72 NTSR2 (0.46) F2NMUR2ACERENCAPN1

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-2014139014-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF VASCULAR ENDOTHELIAL GROWTH FACTOR ACTIVITY AND VASCULAR PERMEABILITY THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-09-18 — — WO disclosed
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