SCHEMBL27596200

SCHEMBL27596200

O=c1n(-c2ccc(C(F)(F)F)cc2)nc(CCc2ccc(O)cc2)n1CCc1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.49
PPARA Q07869 19/20 0.49
NR3C1 P04150 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
PPARG P37231 1/20 0.42
RXRG P48443 1/20 0.42
ESR2 Q92731 1/20 0.42
CTSK P43235 1/20 0.38

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
SCHEMBL4111903 0.87 PPARD (0.55) PPARDPPARANR3C1THRATHRB
SCHEMBL27578184 0.87 PPARD (0.48) PPARDPPARANR3C1THRATHRB
SCHEMBL4122463 0.85 PPARA (0.62) PPARDPPARANR3C1THRATHRB
SCHEMBL4118352 0.84 PPARA (0.47) PPARDPPARANR3C1THRATHRB
SCHEMBL4121078 0.82 PPARD (0.61) PPARDPPARANR3C1THRATHRB
SCHEMBL4125663 0.81 PPARD (0.56) PPARDPPARANR3C1THRATHRB
SCHEMBL4112270 0.80 PPARA (0.60) PPARDPPARANR3C1THRATHRB
SCHEMBL4113265 0.80 PPARD (0.52) PPARDPPARANR3C1THRATHRB
SCHEMBL4116977 0.76 PPARD (0.62) PPARDPPARANR3C1THRATHRB
SCHEMBL4127645 0.75 PPARD (0.57) PPARDPPARANR3C1THRATHRB

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
CN-1479728-A Peroxisome proliferator activated receptor alpha agonists 2004-03-03 CN disclosed