SCHEMBL3844324

SCHEMBL3844324

CCCCCCCn1c(=O)c(NCCCCc2cccc(SC(C)(C)C(=O)O)c2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.38
PPARA Q07869 5/20 0.38
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
PPARD Q03181 2/20 0.33
TP53 P04637 1/20 0.33
ADORA3 P0DMS8 2/20 0.32

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
SCHEMBL3842355 0.95 PPARG (0.41) PPARGPPARAPPARDTP53ADORA3
SCHEMBL3843493 0.93 PPARG (0.37) PPARGPPARAS1PR2S1PR4S1PR1
SCHEMBL3284391 0.92 PPARA (0.38) PPARGPPARATP53ADORA3
SCHEMBL3844552 0.91 SLC22A12 (0.34) PPARGPPARAPPARDTP53
SCHEMBL3842827 0.90 PPARG (0.40) PPARGPPARAPPARDTP53ADORA3
SCHEMBL3843417 0.90 PPARA (0.44) PPARGPPARAPPARDTP53ADORA3
SCHEMBL3285913 0.89 TPSAB1 (0.32) PPARGPPARAPPARD
SCHEMBL3841181 0.89 MAOA (0.35) PPARAPPARD
SCHEMBL3849410 0.88 PPARG (0.40) PPARGPPARAS1PR2S1PR4S1PR1
SCHEMBL3841330 0.88 PPARG (0.38) PPARGPPARAPPARDTP53

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-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2007-11-21 EP claimed
WO-2006092507-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2006-09-08 WO claimed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed