SCHEMBL3961712

SCHEMBL3961712

CCCCC(=NOCCCCC1COC(C)(OC(=O)O)OC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.47
PPARG P37231 15/20 0.46
DRD4 P21917 1/20 0.39
TBXA2R P21731 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL3762201 0.88 PPARA (0.49) PPARAPPARGDRD4
SCHEMBL3762205 0.88 PPARA (0.49) PPARAPPARGDRD4
SCHEMBL3962122 0.86 PPARA (0.50) PPARAPPARGTBXA2R
SCHEMBL3769309 0.85 PPARA (0.47) PPARAPPARGDRD4GAA
SCHEMBL3961000 0.83 PPARA (0.44) PPARAPPARG
SCHEMBL3961326 0.82 PPARA (0.46) PPARAPPARG
SCHEMBL3962164 0.80 PPARA (0.44) PPARAPPARG
SCHEMBL3957617 0.80 PPARA (0.43) PPARAPPARG
SCHEMBL3957381 0.78 PPARA (0.45) PPARAPPARG
SCHEMBL3961592 0.78 PPARA (0.42) 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