SCHEMBL3841092

SCHEMBL3841092

CCCCCCCn1nc(NCCc2ccc(OC(C)(C)C(=O)O)cc2)c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.56
PPARG P37231 12/20 0.56
PPARD Q03181 9/20 0.52

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
SCHEMBL3841175 0.93 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL3285953 0.92 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL3842635 0.91 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL3843762 0.89 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL3842876 0.88 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL3849260 0.88 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3851018 0.87 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL3842497 0.86 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL3285097 0.84 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL3841077 0.84 PPARA (0.46) PPARAPPARGPPARD

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