SCHEMBL3842876

SCHEMBL3842876

CCCCCCCn1nc(NCCCc2cccc(OC(C)(C)C(=O)O)c2)c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.56
PPARG P37231 12/20 0.56
PPARD Q03181 5/20 0.52
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL3851018 0.98 PPARA (0.58) PPARAPPARGPPARDTP53POLB
SCHEMBL3841451 0.95 PPARA (0.58) PPARAPPARGPPARDMAPTADORA3
SCHEMBL3839990 0.94 PPARA (0.61) PPARAPPARGPPARDADORA3
SCHEMBL3843334 0.93 PPARA (0.60) PPARAPPARGPPARDADORA3
SCHEMBL3286734 0.92 PPARA (0.57) PPARAPPARGPPARDTP53POLB
SCHEMBL3840831 0.92 PPARA (0.61) PPARAPPARGPPARDADORA3
SCHEMBL3840689 0.92 PPARA (0.47) PPARAPPARGPPARDTP53POLB
SCHEMBL3844923 0.91 PPARA (0.59) PPARAPPARGPPARDMAPT
SCHEMBL3288232 0.90 PPARA (0.59) PPARAPPARGPPARDTP53POLB
SCHEMBL3842820 0.90 PPARA (0.53) PPARAPPARGPPARDADORA3

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

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