SCHEMBL4388459

SCHEMBL4388459

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.57
BACE2 Q9Y5Z0 2/20 0.57
CTSD P07339 1/20 0.55
LTA4H P09960 1/20 0.55
MMP2 P08253 1/20 0.54
MMP7 P09237 1/20 0.54
MMP9 P14780 1/20 0.54
MMP12 P39900 1/20 0.54
MMP13 P45452 1/20 0.54
MME P08473 1/20 0.54

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
SCHEMBL15345879 0.92 LTA4H (0.62) LTA4HMMP2MMP7MMP9MMP12
SCHEMBL32667937 0.90 BACE1 (0.66) BACE1BACE2CTSDLTA4HMMP2
SCHEMBL30905993 0.90 BACE1 (0.61) BACE1BACE2CTSDLTA4HMME
SCHEMBL30804672 0.88 BACE1 (0.69) BACE1BACE2CTSD
Glutamic Acid SCHEMBL4387195 0.88 NAALAD2 (0.64) LTA4HMME
D-Glutamate SCHEMBL4387193 0.88 NAALAD2 (0.64) LTA4HMME
SCHEMBL25409107 0.87 NAALAD2 (0.57) MME
SCHEMBL30803739 0.87 NAALAD2 (0.61) BACE1BACE2CTSDMME
SCHEMBL29641835 0.85 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL3732243 0.85 NAALAD2 (0.68) BACE1BACE2MME

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10175233-B2 Biomarkers for cardiovascular diseases and methods using the same METABOLON, INC. (US) 2019-01-08 US disclosed
US-20160178620-A1 Biomarkers for Pre-Diabetes, Cardiovascular Diseases, and other Metabolic-Syndrome Related Disorders and Methods Using the Same METABOLON, INC. 2016-06-23 US disclosed
US-8546098-B2 Biomarkers for monitoring insulin resistance and methods using the same METABOLON, INC. (US) 2013-10-01 US disclosed
US-20120208215-A1 Biomarkers for Pre-Diabetes, Cardiovascular Diseases, and Other Metabolic-Syndrome Related Disorders and Methods Using the Same METABOLON, INC. (US) 2012-08-16 US disclosed
US-8187830-B2 Method for determining insulin sensitivity with biomarkers METABOLON, INC. (US) 2012-05-29 US disclosed
US-20090155826-A1 Biomarkers for pre-diabetes, cardiovascular diseases, and other metabolic-syndrome related disorders and methods using the same METABOLON, INC. (US) 2009-06-18 US disclosed