SCHEMBL3956249

SCHEMBL3956249

CCOc1ccc(C(C)=NOCCCCC2COC(C)(OC(=O)O)OC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.41
PPARA Q07869 6/20 0.40
PPARG P37231 4/20 0.40
RXRA P19793 1/20 0.40
HNF4A P41235 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3964738 0.90 PPARA (0.51) GPR119PPARAPPARGKMT2AALDH1A1
SCHEMBL3957381 0.88 PPARA (0.45) GPR119PPARAPPARG
SCHEMBL3958880 0.88 PPARA (0.39) GPR119PPARAPPARG
SCHEMBL3767156 0.88 PPARA (0.48) GPR119PPARAPPARGRXRAHNF4A
SCHEMBL3767153 0.88 PPARA (0.48) GPR119PPARAPPARGRXRAHNF4A
SCHEMBL3961695 0.88 PPARA (0.41) GPR119PPARAPPARG
SCHEMBL3959581 0.88 PPARA (0.49) GPR119PPARAPPARG
SCHEMBL3962122 0.88 PPARA (0.50) PPARAPPARG
SCHEMBL3960996 0.87 PPARA (0.40) GPR119PPARAPPARGKMT2A
SCHEMBL3964664 0.87 PPARA (0.50) GPR119PPARAPPARG

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