SCHEMBL15345875

SCHEMBL15345875

CC(C)C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O.N[C@@H](CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.67
ACE P12821 5/20 0.54
NPY1R P25929 2/20 0.53
NPY2R P49146 2/20 0.53
NPY4R P50391 2/20 0.53
NAALAD2 Q9Y3Q0 1/20 0.51
LTA4H P09960 1/20 0.51
OPRD1 P41143 3/20 0.49
SLC7A5 Q01650 1/20 0.49
IL1RN P18510 1/20 0.48
ERAP2 Q6P179 1/20 0.48
NPY5R Q15761 1/20 0.48
MME P08473 2/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
OPRM1 P35372 1/20 0.47

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
SCHEMBL159887 0.92 NAALAD2 (0.59) FOLH1ACENAALAD2SLC7A5MME
SCHEMBL159886 0.92 NAALAD2 (0.59) FOLH1ACENAALAD2SLC7A5MME
SCHEMBL15345879 0.91 LTA4H (0.62) FOLH1ACELTA4HMME
D-Glutamate SCHEMBL4396908 0.88 NAALAD2 (0.66) FOLH1ACENAALAD2SLC7A5MME
Glutamic Acid SCHEMBL4396913 0.88 NAALAD2 (0.66) FOLH1ACENAALAD2SLC7A5MME
SCHEMBL16927660 0.85 FOLH1 (0.64) FOLH1ACENAALAD2MMECPA1
SCHEMBL4388459 0.84 BACE1 (0.57) LTA4HMME
SCHEMBL13585297 0.83 NOD1 (0.58) FOLH1SLC7A5
SCHEMBL9628017 0.83 NOD1 (0.58) FOLH1SLC7A5
SCHEMBL234160 0.83 NOD1 (0.58) FOLH1SLC7A5

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
EP-2164977-B1 BIOMARKERS FOR PRE-DIABETES AND METHODS USING THE SAME METABOLON INC (US) 2013-10-30 EP disclosed