SCHEMBL3842827

SCHEMBL3842827

CCCCCCCn1nc(NCCCCc2cccc(SC(C)(C)C(=O)O)c2)c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PPARD Q03181 2/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
ADORA3 P0DMS8 3/20 0.36
TLR7 Q9NYK1 4/20 0.35
SLC22A12 Q96S37 1/20 0.35
SMPD1 P17405 1/20 0.35

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
SCHEMBL3842355 0.95 PPARG (0.41) PPARGPPARATP53POLBMAPT
SCHEMBL3843417 0.95 PPARA (0.44) PPARGPPARATP53POLBMAPT
SCHEMBL3284363 0.92 PPARA (0.40) PPARGPPARATP53POLBMAPT
SCHEMBL3841112 0.92 PPARG (0.39) PPARGPPARATP53POLBMAPT
SCHEMBL3841330 0.91 PPARG (0.38) PPARGPPARATP53PPARDTLR7
SCHEMBL3844324 0.90 PPARG (0.38) PPARGPPARATP53PPARDADORA3
SCHEMBL3844552 0.90 SLC22A12 (0.34) PPARGPPARATP53POLBMAPT
SCHEMBL3849410 0.87 PPARG (0.40) PPARGPPARATP53POLBMAPT
SCHEMBL3285942 0.87 PPARA (0.42) PPARGPPARATP53POLBMAPT
SCHEMBL3842931 0.86 PPARA (0.43) PPARGPPARATP53POLBMAPT

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
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP claimed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed
EP-1856065-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2007-11-21 EP disclosed
WO-2006092507-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2006-09-08 WO disclosed