SCHEMBL392857

SCHEMBL392857

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

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.71
PPARA Q07869 1/20 0.61

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
SCHEMBL19509806 0.91 PPARD (0.87) PPARDPPARA
SCHEMBL377188 0.91 PPARD (0.87) PPARDPPARA
SCHEMBL377670 0.84 PPARD (0.82) PPARDPPARA
SCHEMBL377419 0.83 PPARD (1.00) PPARDPPARA
SCHEMBL7021782 0.83 PPARD (1.00) PPARDPPARA
SCHEMBL377517 0.83 PPARD (1.00) PPARDPPARA
SCHEMBL377155 0.83 PPARD (0.86) PPARDPPARA
SCHEMBL377302 0.81 PPARD (0.84) PPARDPPARA
SCHEMBL5973510 0.81 PPARD (0.72) PPARDPPARA
SCHEMBL377622 0.81 PPARD (0.79) 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-2100877-B1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA NV (BE) 2012-01-25 EP disclosed