SCHEMBL4388015

SCHEMBL4388015

CCC(N)C(=O)O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H](O)CO

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
PDE4A P27815 1/20 0.42
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
SLC1A1 P43005 3/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL4390015 0.85 USP2 (0.49) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL9360028 0.84 USP2 (0.47) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL28281424 0.81 SLC1A3 (0.42) SLC1A1SLC1A3SLC1A2
SCHEMBL10596732 0.80 PDE4A (0.47) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL4395512 0.78 PDE4A (0.59) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL1005420 0.78 PDE4A (0.59) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL3462304 0.77 PDE4A (0.57) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL16144872 0.77 PDE4A (0.47) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL7994016 0.77 PDE4A (0.57) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL9355908 0.77 PDE4A (0.57) USP2SLCO1B1PDE4ALMNAL3MBTL1

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 11 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-9250225-B2 Biomarkers for insulin resistance and methods using the same METABOLON, INC. (US) 2016-02-02 US disclosed
US-20150005195-A1 Biomarkers for Pre-Diabetes, Cardiovascular Diseases, and Other Metabolic-Syndrome Related Disorders and Methods Using the Same METABOLON, INC. 2015-01-01 US disclosed
US-8809008-B2 Biomarkers for impaired glucose tolerance and methods using the same METABOLON, INC. (US) 2014-08-19 US disclosed
US-20130338031-A1 Biomarkers for Pre-Diabetes, Cardiovascular Diseases, and Other Metabolic-Syndrome Related Disorders and Methods Using the Same METABOLON, INC. 2013-12-19 US disclosed
EP-2164977-B1 BIOMARKERS FOR PRE-DIABETES AND METHODS USING THE SAME METABOLON INC (US) 2013-10-30 EP 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