SCHEMBL14560811

SCHEMBL14560811

CO[C@@H](Cc1ccc(OCCCOc2ccc(-c3ccc(O)cc3)cc2)cc1)C(C)=O

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.67
PPARD Q03181 12/20 0.67
PPARG P37231 12/20 0.67
ACACB O00763 1/20 0.44
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL14560794 0.90 PPARA (0.68) PPARAPPARDPPARGACACBESR1
SCHEMBL5386010 0.90 PPARG (0.83) PPARAPPARDPPARG
SCHEMBL5389900 0.90 PPARG (0.83) PPARAPPARDPPARG
SCHEMBL14560735 0.90 PPARG (0.83) PPARAPPARDPPARG
SCHEMBL14560824 0.87 PPARD (0.67) PPARAPPARDPPARG
SCHEMBL14560862 0.85 PPARG (0.76) PPARAPPARDPPARG
SCHEMBL6504323 0.85 PPARA (0.76) PPARAPPARDPPARG
SCHEMBL16743963 0.84 ESR1 (0.56) PPARAPPARDPPARGESR1ESR2
SCHEMBL14560849 0.83 PPARG (0.57) PPARAPPARDPPARGACACB
SCHEMBL5578945 0.82 PPARA (0.56) PPARAPPARDPPARG

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-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed