SCHEMBL3841340

SCHEMBL3841340

CCCCCCCn1c(=O)c(NCCCCc2cccc(OC(C)(C)C(=O)OCC)c2)nn(CCC(=O)C(=O)O)c1=O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.56
PPARG P37231 7/20 0.56
PPARD Q03181 1/20 0.40
TLR7 Q9NYK1 8/20 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
SCHEMBL3284656 0.94 PPARA (0.56) PPARAPPARGPPARDTLR7
SCHEMBL3291786 0.94 PPARA (0.61) PPARAPPARGPPARDTLR7
SCHEMBL3285216 0.91 PPARA (0.60) PPARAPPARGPPARDTLR7
SCHEMBL13360138 0.91 PPARA (0.58) PPARAPPARGPPARDTLR7
SCHEMBL3285329 0.91 PPARA (0.58) PPARAPPARGPPARDTLR7
SCHEMBL3288232 0.90 PPARA (0.59) PPARAPPARGPPARDTLR7
SCHEMBL3284207 0.89 PPARA (0.56) PPARAPPARGPPARDTLR7
SCHEMBL3286817 0.89 PPARA (0.56) PPARAPPARGPPARDTLR7
SCHEMBL3286847 0.89 PPARA (0.56) PPARAPPARGPPARDTLR7
SCHEMBL3286648 0.89 PPARA (0.56) PPARAPPARGPPARDTLR7

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
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