SCHEMBL4183103

SCHEMBL4183103

CSc1ccc(C(C)=NOCCCCC2COC(C)(OC(=O)O)OC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.39
PPARG P37231 12/20 0.38
TBXA2R P21731 1/20 0.35
GPR119 Q8TDV5 4/20 0.33
ALOX5 P09917 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
SCHEMBL3959581 0.89 PPARA (0.49) PPARAPPARGGPR119
SCHEMBL3961695 0.89 PPARA (0.41) PPARAPPARGGPR119
SCHEMBL3962122 0.89 PPARA (0.50) PPARAPPARGTBXA2R
SCHEMBL3964664 0.88 PPARA (0.50) PPARAPPARGGPR119
SCHEMBL3758777 0.88 PPARA (0.44) PPARAPPARG
SCHEMBL3960953 0.88 PSEN1 (0.43) PPARAPPARG
SCHEMBL3758780 0.88 PPARA (0.44) PPARAPPARG
SCHEMBL3962164 0.87 PPARA (0.44) PPARAPPARG
SCHEMBL3958880 0.87 PPARA (0.39) PPARAPPARGGPR119
SCHEMBL3964738 0.87 PPARA (0.51) 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