SCHEMBL2822201

SCHEMBL2822201

Cc1cc(OCc2cc(C#Cc3ccc(C(F)(F)F)cc3)cc(C#Cc3ccc(C(F)(F)F)cc3)c2)ccc1[O]

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.47
PPARA Q07869 3/20 0.47
MAOB P27338 6/20 0.46
PPARG P37231 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
MAOA P21397 1/20 0.41
AR P10275 1/20 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
SCHEMBL2828867 0.90 PPARD (0.44) PPARDPPARAMAOBPPARGMRGPRX4
SCHEMBL2822203 0.86 PPARD (0.47) PPARDPPARAMAOBPPARGMRGPRX4
SCHEMBL2823026 0.84 PPARD (0.44) PPARDMAOBMRGPRX4MAOAAR
SCHEMBL2069836 0.82 PPARD (0.73) PPARDPPARAPPARG
SCHEMBL2068513 0.79 PPARD (0.53) PPARDPPARAMRGPRX4
SCHEMBL2068871 0.74 PPARD (0.68) PPARDPPARAPPARG
SCHEMBL3960058 0.72 PPARD (0.67) PPARDPPARAPPARG
SCHEMBL2823029 0.69 MAOB (0.46) PPARDMAOBMRGPRX4MAOA
SCHEMBL3028480 0.67 PDE2A (0.42)
SCHEMBL14437998 0.67 MAOB (0.70) MAOBPPARG

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-1745003-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-27 EP claimed