SCHEMBL3841397

SCHEMBL3841397

CCCC(C)(Sc1cccc(CCCCNc2nn(C)c(=O)n(CCCC(F)(F)F)c2=O)c1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
PPARD Q03181 1/20 0.32
TPSAB1 Q15661 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL3843493 0.91 PPARG (0.37) PPARGPPARAPPARDS1PR2S1PR4
SCHEMBL3285913 0.91 TPSAB1 (0.32) PPARGPPARAPPARDTPSAB1MAOA
SCHEMBL3849869 0.90 PPARG (0.38) PPARGPPARAPPARDS1PR2S1PR4
SCHEMBL3840711 0.89 MAOA (0.33) PPARGPPARAPPARDMAOAMAOB
SCHEMBL3846355 0.87 PPARG (0.37) PPARGPPARATPSAB1
SCHEMBL3849410 0.86 PPARG (0.40) PPARGPPARAPPARDMAOAMAOB
SCHEMBL3284562 0.85 PPARA (0.34) PPARGPPARA
SCHEMBL3842931 0.84 PPARA (0.43) PPARGPPARAPPARD
SCHEMBL3844324 0.84 PPARG (0.38) PPARGPPARAPPARDS1PR2S1PR4
SCHEMBL3844889 0.83 PPARA (0.42) PPARGPPARAPPARD

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 1 patent. 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