SCHEMBL3845812

SCHEMBL3845812

CCCC(C)(Oc1cccc(CCCCCOc2nn(C)c(=O)n(CCCC(F)(F)F)c2=O)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.45
PPARG P37231 8/20 0.45
PPARD Q03181 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
KCNH2 Q12809 3/20 0.37
CYP2D6 P10635 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TRPC5 Q9UL62 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3869431 0.98 PPARA (0.41) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3848566 0.96 PPARA (0.39) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3845359 0.94 PPARA (0.50) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3847187 0.92 PPARA (0.44) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3840790 0.92 PPARA (0.46) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3841400 0.91 PPARA (0.49) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3841911 0.91 PPARA (0.52) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3848673 0.90 PPARA (0.44) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3842663 0.89 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL3845631 0.88 PPARA (0.44) PPARAPPARGPPARDCYP4F2CYP4A11

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