SCHEMBL12201817

SCHEMBL12201817

COC(CO)C(O)C(O)CCO

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
MGAM O43451 1/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL14556006 0.86 MGAM (0.39) THRBMGAMLMNATDP1
SCHEMBL14668783 0.83 LMNA (0.50) MGAMLMNAL3MBTL1TDP1
SCHEMBL14555945 0.83 LMNA (0.50) MGAMLMNAL3MBTL1TDP1
SCHEMBL11148560 0.83 LMNA (0.50) MGAMLMNAL3MBTL1TDP1
SCHEMBL17168356 0.83 LMNA (0.50) MGAMLMNAL3MBTL1TDP1
SCHEMBL23017513 0.83 LMNA (0.50) MGAMLMNAL3MBTL1TDP1
SCHEMBL12608467 0.83 LMNA (0.50) MGAMLMNAL3MBTL1TDP1
SCHEMBL14176473 0.83 LMNA (0.50) MGAMLMNAL3MBTL1TDP1
SCHEMBL7256974 0.80 TDP1 (0.37) MGAMLMNAL3MBTL1TDP1
SCHEMBL4941872 0.80 TDP1 (0.37) MGAMLMNAL3MBTL1TDP1

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-2377528-A2 Fatty acid metabolism inhibitors for use in the treatment of cancer The Board of Regents of the University of Colorado (US) 2011-10-19 EP disclosed