SCHEMBL3841459

SCHEMBL3841459

CCCC(C)(Oc1ccc(OCCNc2nn(CCCC(F)(F)F)c(=O)n(CCCC(F)(F)F)c2=O)cc1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
PPARG P37231 5/20 0.34
PPARA Q07869 5/20 0.34
PPARD Q03181 3/20 0.34
PLA2G4A P47712 1/20 0.33
EPHX2 P34913 1/20 0.33
MGAT2 Q10469 2/20 0.33
P2RX3 P56373 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 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
SCHEMBL3849934 0.95 PPARG (0.38) PPARGPPARAPLA2G4AMGAT2HTT
SCHEMBL3849202 0.92 EPHX2 (0.34) PKMPLA2G4AEPHX2TSHRMAPK1
SCHEMBL3841060 0.92 PPARG (0.39) PPARGPPARAPLA2G4AHTTSMN1; SMN2
SCHEMBL3841422 0.91 PKM (0.34) PKMPPARGPPARAPPARDEPHX2
SCHEMBL3844320 0.90 PPARA (0.40) PPARGPPARAPPARD
SCHEMBL3851244 0.87 PPARA (0.43) PPARGPPARAPPARD
SCHEMBL3844532 0.87 PPARA (0.45) PPARGPPARAPPARD
SCHEMBL3845275 0.87 PPARG (0.42) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL3287514 0.85 PPARA (0.38) PPARGPPARAPPARDMGAT2P2RX3
SCHEMBL3843700 0.84 SMPD1 (0.39) LMNAHTTRAB9ASMN1; SMN2TSHR

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