SCHEMBL3961695

SCHEMBL3961695

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.41
PPARG P37231 12/20 0.40
ESR1 P03372 1/20 0.36
GPR119 Q8TDV5 3/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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 0.92 PPARA (0.49) PPARAPPARGGPR119
SCHEMBL3962122 0.91 PPARA (0.50) PPARAPPARG
SCHEMBL3964664 0.91 PPARA (0.50) PPARAPPARGGPR119
SCHEMBL3960953 0.91 PSEN1 (0.43) PPARAPPARGNPC1RAB9A
SCHEMBL3964738 0.90 PPARA (0.51) PPARAPPARGGPR119
SCHEMBL3958880 0.90 PPARA (0.39) PPARAPPARGGPR119
SCHEMBL3962164 0.90 PPARA (0.44) PPARAPPARG
SCHEMBL4183103 0.89 PPARA (0.39) PPARAPPARGGPR119
SCHEMBL3959737 0.88 PPARA (0.40) PPARAPPARG
SCHEMBL3956249 0.88 GPR119 (0.41) 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