SCHEMBL3841966

SCHEMBL3841966

CCCCCCCn1c(=O)c(N(CCCc2ccccc2)CCc2ccc(OC(C)(C)C(=O)O)cc2)nn(C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.53
PPARG P37231 16/20 0.53
PPARD Q03181 9/20 0.53

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
SCHEMBL3841418 0.98 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL3284508 0.93 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL3840497 0.91 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL3288281 0.90 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL3841934 0.89 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL3842727 0.87 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3285211 0.86 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL3844493 0.84 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL3285160 0.80 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL3845272 0.79 PPARA (0.53) 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 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