SCHEMBL6508371

SCHEMBL6508371

CCOC(=O)C(C)(C)Oc1cccc(CCCCn2nc(C3CCCC3)c(=O)n(CC(=O)Nc3c(C)cccc3C)c2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.46
PPARG P37231 5/20 0.46
RXFP1 Q9HBX9 2/20 0.37
TLR7 Q9NYK1 3/20 0.37
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
TP53 P04637 3/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 1/20 0.35
PPARD Q03181 2/20 0.35
UBE2N P61088 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 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
SCHEMBL6512124 0.87 PPARA (0.51) PPARAPPARGTLR7PPARD
SCHEMBL6513188 0.87 PPARA (0.51) PPARAPPARGTLR7PPARD
SCHEMBL6508372 0.87 PPARA (0.51) PPARAPPARGTLR7PPARD
SCHEMBL6509798 0.87 PPARA (0.48) PPARAPPARGTLR7PPARD
SCHEMBL6509723 0.85 PPARA (0.50) PPARAPPARGTLR7PPARD
SCHEMBL6517074 0.84 PPARA (0.50) PPARAPPARGTLR7PPARD
SCHEMBL6509593 0.84 PPARA (0.49) PPARAPPARGTLR7PPARD
SCHEMBL6508851 0.84 PPARA (0.47) PPARAPPARGTLR7PPARD
SCHEMBL6508849 0.84 PPARA (0.47) PPARAPPARGTLR7PPARD
SCHEMBL6516974 0.83 PPARA (0.48) 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 2 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 claimed
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