SCHEMBL3849961

SCHEMBL3849961

CCCCCCCn1nc(OCCc2cccc(OC(C)(C)C(=O)O)c2)c(=O)n(C)c1=O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.58
PPARG P37231 12/20 0.58
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
PPARD Q03181 5/20 0.46
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3845681 0.97 PPARA (0.61) PPARAPPARGCYP4F2CYP4A11PPARD
SCHEMBL3844621 0.96 PPARA (0.63) PPARAPPARGCYP4F2CYP4A11PPARD
SCHEMBL3286572 0.91 PPARA (0.60) PPARAPPARGCYP4F2CYP4A11PPARD
SCHEMBL3839949 0.91 PPARA (0.46) PPARAPPARGCYP4F2CYP4A11PPARD
SCHEMBL3841370 0.90 PPARA (0.48) PPARAPPARGPPARDNPC1ALDH1A1
SCHEMBL3849240 0.90 PPARA (0.48) PPARAPPARGPPARDNPC1ALDH1A1
SCHEMBL3842642 0.89 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3285135 0.87 PPARA (0.63) PPARAPPARGPPARD
SCHEMBL3843403 0.87 PPARA (0.61) PPARAPPARGCYP4F2CYP4A11PPARD
SCHEMBL3844865 0.87 PPARA (0.48) PPARAPPARGCYP4F2CYP4A11PPARD

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