SCHEMBL6508882

SCHEMBL6508882

CCOC(=O)C(C)(C)Oc1cccc(CCCCCn2nc(Cc3ccccc3)c(=O)n(CCCC(F)(F)F)c2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.52
PPARG P37231 5/20 0.52
TLR7 Q9NYK1 8/20 0.39
PPARD Q03181 1/20 0.39
TRPC5 Q9UL62 3/20 0.37
GRM2 Q14416 1/20 0.37

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
SCHEMBL6509768 0.99 PPARA (0.51) PPARAPPARGTLR7PPARDTRPC5
SCHEMBL6511817 0.93 PPARA (0.62) PPARAPPARGTLR7PPARD
SCHEMBL6516926 0.93 PPARA (0.62) PPARAPPARGTLR7PPARD
SCHEMBL6513058 0.92 PPARA (0.60) PPARAPPARGTLR7PPARDGRM2
SCHEMBL6511438 0.92 PPARA (0.60) PPARAPPARGTLR7PPARDGRM2
SCHEMBL6512166 0.92 PPARA (0.60) PPARAPPARGTLR7PPARDGRM2
SCHEMBL6528547 0.91 PPARA (0.48) PPARAPPARGPPARDTRPC5
SCHEMBL6519119 0.90 PPARA (0.52) PPARAPPARGTLR7PPARDTRPC5
SCHEMBL6511113 0.89 PPARA (0.51) PPARAPPARGTLR7PPARDTRPC5
SCHEMBL6512175 0.86 PPARA (0.67) PPARAPPARGTLR7PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005080354-A1 1,2,4-TRIAZINES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2005-09-01 WO disclosed
EP-1542978-A1 NOVEL BIO-ACTIVE MOLECULES Orchid Chemicals and Pharmaceuticals Ltd (IN) 2005-06-22 EP disclosed
WO-2004009560-A1 NOVEL BIO-ACTIVE MOLECULES ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-01-29 WO disclosed
WO-2003084937-A2 PYRIMIDINEDIONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOLOGICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-10-16 WO disclosed