SCHEMBL3958880

SCHEMBL3958880

CCc1ccc(C(C)=NOCCCCC2COC(C)(OC(=O)O)OC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.39
PPARG P37231 12/20 0.39
S1PR1 P21453 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
S1PR3 Q99500 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
SCHEMBL3957617 0.91 PPARA (0.43) PPARAPPARGS1PR1S1PR3
SCHEMBL3961695 0.90 PPARA (0.41) PPARAPPARGGPR119
SCHEMBL3959581 0.90 PPARA (0.49) PPARAPPARGS1PR1GPR119
SCHEMBL3962122 0.89 PPARA (0.50) PPARAPPARG
SCHEMBL3959938 0.89 PPARA (0.38) PPARAPPARGS1PR1GPR119S1PR3
SCHEMBL3960953 0.89 PSEN1 (0.43) PPARAPPARG
SCHEMBL3964664 0.89 PPARA (0.50) PPARAPPARGS1PR1GPR119
SCHEMBL3956249 0.88 GPR119 (0.41) PPARAPPARGGPR119
SCHEMBL3962164 0.88 PPARA (0.44) PPARAPPARGS1PR1
SCHEMBL3964738 0.88 PPARA (0.51) PPARAPPARGS1PR1GPR119

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