Sugi Predict

Sugi Predict / Compounds / SCHEMBL6515752

SCHEMBL6515752

SCHEMBL6515752

CCOC(=O)C(C)(C)Oc1cccc(CCCn2nc(C3CCCC3)c(=O)n(CCC(c3ccccc3)c3ccccc3)c2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 7/20 0.47
▸ PPARG P37231 5/20 0.47
▸ TLR7 Q9NYK1 7/20 0.41
▸ PPARD Q03181 2/20 0.38
▸ PTGDR2 Q9Y5Y4 2/20 0.38
▸ PTGDR Q13258 1/20 0.37
▸ BCL9 O00512 4/20 0.37
▸ CTNNB1 P35222 4/20 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
SCHEMBL6509723 0.92 PPARA (0.50) PPARAPPARGTLR7PPARD
SCHEMBL6508372 0.91 PPARA (0.51) PPARAPPARGTLR7PPARD
SCHEMBL6513188 0.91 PPARA (0.51) PPARAPPARGTLR7PPARD
SCHEMBL6508401 0.90 PPARA (0.49) PPARAPPARGTLR7PPARD
SCHEMBL6512124 0.90 PPARA (0.51) PPARAPPARGTLR7PPARD
SCHEMBL6511929 0.89 PPARA (0.47) PPARAPPARGTLR7PPARDBCL9
SCHEMBL6531406 0.88 PPARA (0.48) PPARAPPARGTLR7PPARDBCL9
SCHEMBL6516974 0.88 PPARA (0.48) PPARAPPARGTLR7PPARDBCL9
SCHEMBL6508874 0.88 PPARA (0.47) PPARAPPARGTLR7PPARDBCL9
SCHEMBL6511481 0.88 PPARA (0.47) PPARAPPARGTLR7PPARDBCL9

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
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