SCHEMBL3960123

SCHEMBL3960123

CCC(=NOCCCCC1COC(C)(C(=O)O)OC1C)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.42
PPARG P37231 13/20 0.42
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL3956356 0.91 PPARA (0.43) PPARAPPARGMAPTTHRBL3MBTL1
SCHEMBL3764480 0.90 PPARA (0.46) PPARAPPARGS1PR1
SCHEMBL3762811 0.86 PPARA (0.49) PPARAPPARGMAPTTHRBL3MBTL1
SCHEMBL3762808 0.86 PPARA (0.49) PPARAPPARGMAPTTHRBL3MBTL1
SCHEMBL3769310 0.84 PPARA (0.44) PPARAPPARG
SCHEMBL3759960 0.83 PPARA (0.49) PPARAPPARGMAPTRXRARXRB
SCHEMBL3768056 0.83 PPARA (0.48) PPARAPPARGMAPTRXRARXRB
SCHEMBL3762603 0.82 PPARA (0.39) PPARAPPARGS1PR1
SCHEMBL3758105 0.82 PPARA (0.38) PPARAPPARGS1PR1
SCHEMBL3769108 0.82 NPC1 (0.41) 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