SCHEMBL5509580

SCHEMBL5509580

Cc1cc(SCc2ccc(OCc3cc(Cl)ccc3Cl)cc2)ccc1OCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.68
PPARA Q07869 5/20 0.68
PPARG P37231 3/20 0.53
MAOB P27338 1/20 0.49
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48

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
SCHEMBL5510036 0.92 PPARD (0.64) PPARDPPARAPPARG
SCHEMBL5507593 0.90 PPARD (0.59) PPARDPPARAPPARGMAOBFFAR1
SCHEMBL5508433 0.89 PPARD (0.76) PPARDPPARAPPARG
SCHEMBL5513320 0.83 PPARD (0.52) PPARDPPARAPPARG
SCHEMBL5511791 0.82 PPARD (0.79) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL5510198 0.81 PPARD (0.77) PPARDPPARAPPARG
SCHEMBL5507963 0.81 PPARD (1.00) PPARDPPARAPPARG
SCHEMBL5512133 0.81 PPARD (0.79) PPARDPPARAPPARG
SCHEMBL5513400 0.80 PPARD (0.67) PPARDPPARAPPARGMAOB
SCHEMBL5512768 0.80 PPARD (0.67) 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 3 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
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed