SCHEMBL3964664

SCHEMBL3964664

CC(=NOCCCCC1COC(C)(OC(=O)O)OC1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.50
PPARG P37231 13/20 0.50
LMNA P02545 1/20 0.43
PTBP1 P26599 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
S1PR1 P21453 1/20 0.36
CYP1A2 P05177 1/20 0.36
SLC6A4 P31645 1/20 0.35
GPR119 Q8TDV5 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
SCHEMBL3959581 0.91 PPARA (0.49) PPARAPPARGS1PR1CYP1A2GPR119
SCHEMBL3961695 0.91 PPARA (0.41) PPARAPPARGGPR119
SCHEMBL3962122 0.90 PPARA (0.50) PPARAPPARGLMNA
SCHEMBL3960953 0.90 PSEN1 (0.43) PPARAPPARGSLC6A4
SCHEMBL3957364 0.89 PPARA (0.52) PPARAPPARGLMNASMN1; SMN2S1PR1
SCHEMBL3964738 0.89 PPARA (0.51) PPARAPPARGS1PR1GPR119
SCHEMBL3958880 0.89 PPARA (0.39) PPARAPPARGS1PR1GPR119
SCHEMBL3962164 0.89 PPARA (0.44) PPARAPPARGS1PR1
SCHEMBL4183103 0.88 PPARA (0.39) PPARAPPARGGPR119
SCHEMBL3959737 0.88 PPARA (0.40) 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