SCHEMBL5991963

SCHEMBL5991963

CC(CCOc1ccc(CC(=O)O)cc1Br)Oc1ccc(Cl)cc1Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.59
PPARG P37231 8/20 0.59
PPARD Q03181 8/20 0.59
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NR3C1 P04150 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5991958 1.00 PPARA (0.59) PPARAPPARGPPARDTHRATHRB
SCHEMBL5991710 0.92 PPARA (0.54) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5991716 0.92 PPARA (0.54) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5991590 0.91 PPARG (0.67) PPARAPPARGPPARDTHRATHRB
SCHEMBL5991581 0.91 PPARG (0.67) PPARAPPARGPPARDTHRATHRB
SCHEMBL5989519 0.90 PPARG (0.65) PPARAPPARGPPARDPTGDR2
SCHEMBL5989516 0.90 PPARG (0.65) PPARAPPARGPPARDPTGDR2
SCHEMBL5990058 0.88 PPARG (0.68) PPARAPPARGPPARD
SCHEMBL5990052 0.88 PPARG (0.68) PPARAPPARGPPARD
SCHEMBL5988827 0.87 PPARG (0.67) PPARAPPARGPPARDPTGDR2

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
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US claimed
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed