SCHEMBL2822183

SCHEMBL2822183

Cc1cc(Sc2cc(C#Cc3ccc(C(F)(F)F)cc3)cc(C#Cc3ccc(C(F)(F)F)cc3)n2)ccc1[O]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
GRM5 P41594 7/20 0.36
HPGD P15428 4/20 0.35
KDM4E B2RXH2 1/20 0.35
XBP1 P17861 1/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HAO1 Q9UJM8 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2822186 0.88 PPARD (0.43) PPARDPPARGPPARAGRM5HPGD
SCHEMBL2068479 0.81 PPARD (0.66) PPARDPPARGPPARA
SCHEMBL2822103 0.81 PPARD (0.47) PPARDPPARGPPARAGRM5
SCHEMBL2824805 0.79 PPARD (0.44) PPARDPPARGPPARA
SCHEMBL2070902 0.79 PPARD (0.53) PPARDPPARGPPARAPTGDR2
SCHEMBL2822191 0.76 GRM5 (0.43) PPARDPPARGPPARAGRM5HPGD
SCHEMBL12590669 0.71 PPARD (0.77) PPARDPPARGPPARA
SCHEMBL2827431 0.71 PPARG (0.40) PPARDPPARGPPARAGRM5EGLN1
SCHEMBL2828867 0.70 PPARD (0.44) PPARDPPARGPPARA
SCHEMBL2821756 0.68 GRM5 (0.41) GRM5MAPT

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