SCHEMBL6575247

SCHEMBL6575247

CO[C@@H](Cc1ccc(CC#CCOc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.55
PPARG P37231 16/20 0.55
PPARD Q03181 11/20 0.55
FFAR1 O14842 1/20 0.42
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40

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
SCHEMBL5387869 0.92 PPARA (0.63) PPARAPPARGPPARDFFAR1
SCHEMBL5387587 0.92 PPARA (0.63) PPARAPPARGPPARDFFAR1
SCHEMBL6574322 0.88 PPARA (0.70) PPARAPPARGPPARD
SCHEMBL5382491 0.85 PPARA (0.76) PPARAPPARGPPARDFFAR1
SCHEMBL14571496 0.85 PPARA (0.61) PPARAPPARGPPARDFFAR1MME
SCHEMBL5377956 0.85 PPARA (0.76) PPARAPPARGPPARDFFAR1
SCHEMBL5379864 0.84 PPARA (0.79) PPARAPPARGPPARDFFAR1
SCHEMBL5386707 0.83 PPARA (0.80) PPARAPPARGPPARD
SCHEMBL5382586 0.82 PPARA (0.63) PPARAPPARGPPARD
SCHEMBL14392125 0.82 PPARA (0.67) PPARAPPARGPPARD

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-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed