SCHEMBL2822186

SCHEMBL2822186

Cc1cc(Sc2cc(C#Cc3ccc(C(F)(F)F)cc3)cc(C#Cc3ccc(C(F)(F)F)cc3)n2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
EGLN1 Q9GZT9 1/20 0.35
GRM5 P41594 5/20 0.35
HPGD P15428 3/20 0.34
KDM4E B2RXH2 1/20 0.34
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ESR1 P03372 3/20 0.33
HAO1 Q9UJM8 1/20 0.32
BCL2L1 Q07817 1/20 0.32
ESR2 Q92731 2/20 0.32
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2822183 0.88 PPARD (0.44) PPARDPPARGPPARAEGLN1GRM5
SCHEMBL2068479 0.80 PPARD (0.66) PPARDPPARGPPARA
SCHEMBL2070902 0.78 PPARD (0.53) PPARDPPARGPPARA
SCHEMBL2822197 0.76 GRM5 (0.43) PPARDPPARGPPARAGRM5HPGD
SCHEMBL2827433 0.72 PPARG (0.38) PPARDPPARGPPARAEGLN1GRM5
SCHEMBL12590669 0.70 PPARD (0.77) PPARDPPARGPPARA
SCHEMBL2822103 0.70 PPARD (0.47) PPARDPPARGPPARAGRM5
SCHEMBL5673869 0.68 PPARD (0.47) PPARDPPARGPPARAKDM4EALDH1A1
SCHEMBL2821758 0.67 ERN1 (0.44) GRM5L3MBTL1
SCHEMBL51244 0.67 TP53 (0.54) HPGDKDM4EESR1ESR2AR

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