SCHEMBL2069381

SCHEMBL2069381

CCC(Oc1ccc(Sc2cc(C#Cc3ccc(Cl)cc3)nc(C#Cc3ccc(Cl)cc3)c2)cc1C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.46
PPARD Q03181 5/20 0.46
PPARG P37231 4/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.42
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
P2RX3 P56373 3/20 0.36
FFAR1 O14842 1/20 0.35

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
SCHEMBL2070336 0.87 PTGDR2 (0.42) PPARAPPARDPPARGPTGDR2TSHR
SCHEMBL2069995 0.83 PPARD (0.60) PPARAPPARDPPARGPTGDR2
SCHEMBL2070902 0.83 PPARD (0.53) PPARAPPARDPPARGPTGDR2
SCHEMBL2068744 0.83 PPARA (0.41) PPARAPPARDPPARGPTGDR2TSHR
SCHEMBL2068734 0.79 PPARA (0.40) PPARAPPARDPPARGPTGDR2SMN1; SMN2
SCHEMBL2070877 0.79 PPARA (0.43) PPARAPPARDPPARGPTGDR2SMN1; SMN2
SCHEMBL2068659 0.78 PPARA (0.48) PPARAPPARDPPARGPTGDR2TSHR
SCHEMBL2068681 0.77 PPARA (0.39) PPARAPPARDPPARGPTGDR2TSHR
SCHEMBL2822191 0.77 GRM5 (0.43) PPARAPPARDPPARGFFAR1
SCHEMBL2068774 0.76 PPARD (0.38) PPARAPPARDPPARGPTGDR2SMN1; SMN2

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
US-7968723-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-06-28 US disclosed