SCHEMBL3842665

SCHEMBL3842665

CCCCCCCn1c(=O)c(NCCCCOc2ccc(OC(C)(C)C(=O)O)cc2)nn(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.46
PPARA Q07869 10/20 0.46
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
PPARD Q03181 5/20 0.40
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
PLA2G4B P0C869 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
SCHEMBL3841090 0.97 PPARG (0.47) PPARGPPARAPSEN1PSEN2APH1B
SCHEMBL3846393 0.91 TP53 (0.39) PPARGPPARATP53TSHRPLA2G4B
SCHEMBL3286062 0.90 PPARA (0.40) PPARGPPARATSHR
SCHEMBL3842276 0.89 TP53 (0.39) PPARGPPARATP53TSHRPLA2G4B
SCHEMBL3841493 0.88 PPARA (0.47) PPARGPPARAPSEN1PSEN2APH1B
SCHEMBL3842497 0.88 PPARA (0.53) PPARGPPARAPPARD
SCHEMBL3285407 0.88 PPARA (0.41) PPARGPPARATSHR
SCHEMBL3844301 0.85 PPARG (0.39) PPARGPPARAPPARD
SCHEMBL3844532 0.85 PPARA (0.45) PPARGPPARAPSEN1PSEN2APH1B
SCHEMBL3845476 0.84 MAPK14 (0.39) PPARGPPARATP53TSHRPLA2G4B

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