SCHEMBL13087141

SCHEMBL13087141

CCCC(CCC)(COc1ccc(C)cc1)CSc1ccc(OCC(=O)O)c(C)c1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.82
PPARA Q07869 2/20 0.50

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
SCHEMBL2354026 0.90 PPARD (1.00) PPARDPPARA
SCHEMBL2354034 0.81 PPARD (0.83) PPARDPPARA
SCHEMBL12087362 0.80 PPARD (0.55) PPARDPPARA
SCHEMBL7014930 0.78 PPARD (0.59) PPARDPPARA
SCHEMBL2348281 0.77 PPARD (0.78) PPARDPPARA
SCHEMBL2350620 0.76 PPARD (1.00) PPARDPPARA
SCHEMBL12082996 0.76 PPARD (0.77) PPARDPPARA
SCHEMBL2347335 0.75 PPARD (0.83) PPARDPPARA
SCHEMBL13680141 0.75 PPARD (0.78) PPARDPPARA
SCHEMBL2352249 0.75 PPARD (0.85) PPARDPPARA

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
EP-2243766-A2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs Janssen Pharmaceutica N.V. (BE) 2010-10-27 EP disclosed