SCHEMBL4565162

SCHEMBL4565162

CCOC(=O)c1c(CC)sc(-n2cnn(Cc3ccc(S(C)(=O)=O)cc3)c2=O)c1CC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.43
PTGS2 P35354 2/20 0.38
PTGDR2 Q9Y5Y4 6/20 0.38
PPARD Q03181 4/20 0.38
PPARG P37231 1/20 0.38
SCD O00767 2/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL244425 0.77 PPARA (0.49) PPARAPTGS2PTGDR2PPARDPPARG
SCHEMBL4565189 0.76 SCD (0.50) PPARAPPARDPPARGSCD
SCHEMBL242780 0.69 PPARA (0.52) PPARAPTGDR2PPARDPPARGSCD
SCHEMBL1909737 0.67 PPARA (0.47) PPARAPTGS2PTGDR2PPARDPPARG
SCHEMBL245124 0.64 SCD (0.76) SCDNPC1LMNA
SCHEMBL242868 0.64 SCD (0.56) PPARAPPARDPPARGSCDLMNA
SCHEMBL244247 0.64 MEN1 (0.52) PPARAPPARDPPARGSCDNPC1
SCHEMBL12134067 0.64 SCD (0.60) PPARAPPARDSCDLMNA
SCHEMBL244719 0.62 SCD (0.64) PPARAPPARDPPARGSCD
SCHEMBL63779 0.59 KMT2A (0.64) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054408-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL Novartis Ag (CH) 2009-05-06 EP disclosed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 WO disclosed