SCHEMBL5974792

SCHEMBL5974792

COc1ccc(CC(SC)C(N)=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.72
PPARD Q03181 8/20 0.72
PPARG P37231 7/20 0.72
PSEN1 P49768 3/20 0.67
PSEN2 P49810 3/20 0.67
APH1B Q8WW43 3/20 0.67
NCSTN Q92542 3/20 0.67
APH1A Q96BI3 3/20 0.67
PSENEN Q9NZ42 3/20 0.67

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
SCHEMBL5974713 0.91 PPARA (0.82) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL5974939 0.91 PPARA (0.73) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL5975154 0.90 PPARA (0.69) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL5975375 0.86 PPARA (0.71) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL5974735 0.86 PPARA (0.71) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL5975110 0.85 PPARA (0.68) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL5974256 0.83 PPARA (0.68) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL6380273 0.83 PPARA (0.84) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL5974875 0.83 PPARA (0.72) PPARAPPARDPPARGPSEN1PSEN2
SCHEMBL5974229 0.83 PPARA (0.67) PPARAPPARDPPARGPSEN1PSEN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219595-B1 O-ANISAMIDE DERIVATIVES KYORIN SEIYAKU KK (JP) 2006-01-18 EP claimed
US-6706763-B1 AGONISTIC DRUG ON HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-03-16 US claimed
EP-1219595-A1 O-ANISAMIDE DERIVATIVES KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-07-03 EP claimed
EP-1219595-B1 O-ANISAMIDE DERIVATIVES KYORIN SEIYAKU KK (JP) 2006-01-18 EP disclosed
US-6706763-B1 AGONISTIC DRUG ON HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-03-16 US disclosed
EP-1219595-A1 O-ANISAMIDE DERIVATIVES KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-07-03 EP disclosed