SCHEMBL5512600

SCHEMBL5512600

O=C(O)COc1ccc(SCc2cc(Cl)c(OCc3ccc(C(F)(F)F)cc3)c(Cl)c2)c2c1CCC2

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.76
PPARA Q07869 15/20 0.76
PPARG P37231 8/20 0.68

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
SCHEMBL5511919 0.91 PPARD (0.63) PPARDPPARAPPARG
SCHEMBL5513213 0.86 PPARD (1.00) PPARDPPARAPPARG
SCHEMBL5513436 0.84 PPARD (0.76) PPARDPPARAPPARG
SCHEMBL5514485 0.84 PPARD (0.82) PPARDPPARAPPARG
SCHEMBL5509858 0.84 PPARD (0.82) PPARDPPARAPPARG
SCHEMBL5510532 0.84 PPARD (0.82) PPARDPPARAPPARG
SCHEMBL5506830 0.83 PPARD (1.00) PPARDPPARAPPARG
SCHEMBL6201341 0.82 PPARD (0.59) PPARDPPARAPPARG
Lithium SCHEMBL6314015 0.82 PPARD (0.58) PPARDPPARAPPARG
SCHEMBL6314006 0.82 PPARD (0.58) 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 2 patents. 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
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed