SCHEMBL5802889

SCHEMBL5802889

O=C(O)CCc1cn(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2ccccc12.O=C(O)Cc1cn(Cc2cccc(OCc3ccc(C(F)(F)F)cc3)c2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.54
PPARG P37231 3/20 0.54
PPARA Q07869 3/20 0.54
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
ICMT O60725 5/20 0.51
HTR6 P50406 1/20 0.47
PLA2G4A P47712 1/20 0.45
FFAR1 O14842 3/20 0.45
FFAR4 Q5NUL3 2/20 0.45
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
EGFR P00533 1/20 0.44
IGF1R P08069 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL5638665 0.93 FFAR1 (0.50) PPARDPPARGPPARAALDH1A1LMNA
SCHEMBL5639523 0.92 PPARD (0.60) PPARDPPARGPPARAALDH1A1LMNA
SCHEMBL5640371 0.86 HTR6 (0.56) PPARDPPARGPPARAALDH1A1HTR6
SCHEMBL5641773 0.84 HTR6 (0.62) ALDH1A1ICMTHTR6PLA2G4AKDR
SCHEMBL8172515 0.84 LMNA (0.68) PPARDPPARGPPARAALDH1A1LMNA
SCHEMBL13802401 0.83 PPARD (0.69) PPARDPPARGPPARAICMTLTB4R
SCHEMBL13931401 0.81 ICMT (0.62) PPARDPPARGPPARAALDH1A1LMNA
SCHEMBL8176536 0.78 ICMT (0.63) PPARDPPARGPPARAALDH1A1LMNA
SCHEMBL8183003 0.78 ALDH1A1 (0.56) PPARDPPARGPPARAALDH1A1LMNA
SCHEMBL8174418 0.78 LMNA (0.60) PPARDPPARGPPARAALDH1A1LMNA

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-1620086-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION Warner-Lambert Company LLC (US) 2006-02-01 EP claimed
WO-2004091604-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO claimed
EP-1620086-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION Warner-Lambert Company LLC (US) 2006-02-01 EP disclosed
WO-2004091604-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed