SCHEMBL3961326

SCHEMBL3961326

CCC(=NOCCCCC1COC(C)(OC(=O)O)OC1)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.46
PPARG P37231 6/20 0.46
GPR119 Q8TDV5 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35

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
SCHEMBL3961000 0.90 PPARA (0.44) PPARAPPARGL3MBTL1
SCHEMBL3964738 0.89 PPARA (0.51) PPARAPPARGGPR119L3MBTL1PKM
SCHEMBL3759907 0.88 PPARA (0.50) PPARAPPARGL3MBTL1
SCHEMBL3759904 0.88 PPARA (0.50) PPARAPPARGL3MBTL1
SCHEMBL3763268 0.85 PPARA (0.45) PPARAPPARGGPR119L3MBTL1PKM
SCHEMBL3956249 0.82 GPR119 (0.41) PPARAPPARGGPR119
SCHEMBL3961712 0.82 PPARA (0.47) PPARAPPARG
SCHEMBL3957381 0.80 PPARA (0.45) PPARAPPARGGPR119
SCHEMBL3961687 0.79 PPARA (0.47) PPARAPPARG
SCHEMBL3958880 0.79 PPARA (0.39) PPARAPPARGGPR119

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