SCHEMBL377972

SCHEMBL377972

COCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc([O])c(C)c1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.73
PPARA Q07869 1/20 0.62

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
SCHEMBL377485 0.92 PPARD (0.72) PPARDPPARA
SCHEMBL377494 0.92 PPARD (0.72) PPARDPPARA
SCHEMBL377260 0.92 PPARD (0.72) PPARDPPARA
SCHEMBL7015317 0.89 PPARD (0.78) PPARDPPARA
SCHEMBL7016564 0.89 PPARD (0.78) PPARDPPARA
SCHEMBL7015323 0.89 PPARD (0.78) PPARDPPARA
SCHEMBL7018183 0.88 PPARD (0.73) PPARDPPARA
SCHEMBL377973 0.88 PPARD (0.73) PPARDPPARA
SCHEMBL19228618 0.87 PPARD (0.78) PPARDPPARA
SCHEMBL7016145 0.85 PPARD (0.75) 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 claimed