SCHEMBL3709949

SCHEMBL3709949

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nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.44
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL3708519 1.00 PDE4A (0.44) PDE4ALMNAUSP2SLCO1B1L3MBTL1
Gluconic Acid SCHEMBL5804547 0.87 PDE4A (0.47) PDE4ALMNAUSP2SLCO1B1
SCHEMBL4393096 0.84 PDE4A (0.42) PDE4ALMNAUSP2SLCO1B1L3MBTL1
SCHEMBL1001815 0.82 PDE4A (0.50) PDE4ALMNAUSP2SLCO1B1L3MBTL1
SCHEMBL4395659 0.80 PDE4A (0.44) PDE4ALMNAUSP2SLCO1B1L3MBTL1
SCHEMBL1656749 0.79 PDE4A (0.50) PDE4ALMNAUSP2SLCO1B1L3MBTL1
SCHEMBL8465610 0.78 PDE4A (0.54) PDE4ALMNAUSP2SLCO1B1L3MBTL1
SCHEMBL3289378 0.77 PDE4A (0.48) PDE4ALMNAUSP2SLCO1B1L3MBTL1
SCHEMBL6274785 0.77 PDE4A (0.52) PDE4ALMNAUSP2SLCO1B1L3MBTL1
SCHEMBL16144865 0.77 PDE4A (0.44) PDE4ALMNAUSP2SLCO1B1L3MBTL1

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
US-20120122981-A1 Biomarkers Related to Insulin Resistance and Methods using the Same METABOLON, INC. 2012-05-17 US disclosed