SCHEMBL15345879

SCHEMBL15345879

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](Cc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.62
ACE P12821 1/20 0.59
MME P08473 2/20 0.55
FOLH1 Q04609 2/20 0.54
MMP2 P08253 1/20 0.53
MMP7 P09237 1/20 0.53
MMP9 P14780 1/20 0.53
MMP12 P39900 1/20 0.53
MMP13 P45452 1/20 0.53

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
SCHEMBL4388459 0.92 BACE1 (0.57) LTA4HMMEMMP2MMP7MMP9
SCHEMBL18222588 0.91 ACE (0.58) LTA4HACEMME
SCHEMBL161657 0.91 ACE (0.58) LTA4HACEMME
SCHEMBL161658 0.91 ACE (0.58) LTA4HACEMME
SCHEMBL9628000 0.91 ACE (0.58) LTA4HACEMME
SCHEMBL15345875 0.91 FOLH1 (0.67) LTA4HACEMMEFOLH1
Methylmalonic Acid SCHEMBL29577852 0.90 ACE (0.52) LTA4HACE
Glutamic Acid SCHEMBL4387195 0.87 NAALAD2 (0.64) LTA4HACEMMEFOLH1
D-Glutamate SCHEMBL4387193 0.87 NAALAD2 (0.64) LTA4HACEMMEFOLH1
SCHEMBL13585297 0.85 NOD1 (0.58) FOLH1

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