SCHEMBL5505976

SCHEMBL5505976

COc1cc(OCC(=O)O)c(C)cc1SCc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.62
PPARA Q07869 4/20 0.62
PPARG P37231 2/20 0.62

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
SCHEMBL1548952 0.89 PPARD (0.71) PPARDPPARAPPARG
SCHEMBL1600737 0.86 PPARD (0.71) PPARDPPARAPPARG
SCHEMBL6282731 0.85 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL5509214 0.83 PPARD (0.63) PPARDPPARAPPARG
SCHEMBL5508820 0.81 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL5512008 0.80 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL4110321 0.80 PPARD (0.82) PPARDPPARAPPARG
SCHEMBL3809616 0.78 PPARD (0.65) PPARDPPARAPPARG
SCHEMBL5508795 0.78 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL5512886 0.78 PPARD (0.64) PPARDPPARAPPARG

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-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed