SCHEMBL3961687

SCHEMBL3961687

COc1ccc(C(C)=NOCCCCC2COC(C)(OC(=O)O)OC2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.47
PPARG P37231 13/20 0.47
PDE4D Q08499 5/20 0.38
PPARD Q03181 2/20 0.35
PDE4B Q07343 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL3959430 0.93 PPARG (0.53) PPARAPPARGPDE4DPDE4BMAPK14
SCHEMBL3956558 0.91 PPARA (0.53) PPARAPPARG
SCHEMBL3959542 0.91 PPARA (0.53) PPARAPPARG
SCHEMBL3959434 0.90 PPARA (0.47) PPARAPPARGPDE4DPDE4BMAPK14
SCHEMBL3763523 0.89 PPARA (0.48) PPARAPPARGPDE4D
SCHEMBL3763527 0.89 PPARA (0.48) PPARAPPARGPDE4D
SCHEMBL3761955 0.86 PPARA (0.46) PPARAPPARGPDE4DPDE4BMAPK14
SCHEMBL3964738 0.85 PPARA (0.51) PPARAPPARG
SCHEMBL3959581 0.85 PPARA (0.49) PPARAPPARG
SCHEMBL3961592 0.84 PPARA (0.42) PPARAPPARG

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-1989192-B1 1,3-DIOXANE CARBOXYLIC ACIDS CADILA HEALTHCARE LTD (IN) 2009-07-22 EP claimed