SCHEMBL3844532

SCHEMBL3844532

CCCCCCCn1c(=O)c(NCCCOc2ccc(OC(C)(C)C(=O)O)cc2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.45
PPARG P37231 10/20 0.45
PPARD Q03181 7/20 0.39
SMPD1 P17405 1/20 0.37
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35

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
SCHEMBL3844320 0.94 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL3841493 0.93 PPARA (0.47) PPARAPPARGPPARDSMPD1PSEN1
SCHEMBL3849934 0.92 PPARG (0.38) PPARAPPARGSMPD1
SCHEMBL3286019 0.92 PPARA (0.38) PPARAPPARGPPARDSMPD1
SCHEMBL3849260 0.91 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3844301 0.88 PPARG (0.39) PPARAPPARGPPARD
SCHEMBL3848287 0.88 PPARA (0.41) PPARAPPARGPPARD
SCHEMBL3841090 0.87 PPARG (0.47) PPARAPPARGPPARDSMPD1PSEN1
SCHEMBL3841459 0.87 PKM (0.34) PPARAPPARGPPARD
SCHEMBL3842013 0.87 PPARG (0.44) PPARAPPARGPPARDSMPD1PSEN1

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