SCHEMBL6244347

SCHEMBL6244347

FC(F)(F)c1ccc(-c2nc3cccc(COc4ccccc4)c3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.46
PPARG P37231 2/20 0.46
CETP P11597 2/20 0.43
PPARA Q07869 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PTPN1 P18031 2/20 0.42
DHODH Q02127 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41

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
SCHEMBL3920913 0.81 ESR2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1PTPN1
SCHEMBL6218707 0.78 MTNR1A (0.46) CETPALDH1A1PTPN1DHODHKDM4E
SCHEMBL3924017 0.78 PPARD (0.68) PPARDPPARGPPARA
SCHEMBL13868064 0.77 PPARD (0.51) PPARDPPARGCETPPPARA
SCHEMBL18951247 0.74 PTPN2 (0.45) CETPSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6216739 0.73 DHODH (0.72) PPARDTP53MAPTPTPN1DHODH
SCHEMBL11817024 0.71 ELANE (0.71) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL3918029 0.70 PPARA (0.57) PPARDPPARGPPARATP53MAPT
SCHEMBL6249086 0.70 PPARD (0.45) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL27636490 0.70 TP53 (0.56) PPARDPPARGPPARATP53MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed