SCHEMBL3959136

SCHEMBL3959136

CC(=NOCCCCC1COC(C)(OC(=O)O)OC1)c1ccc2c(c1)CCCC2

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.55
PPARG P37231 11/20 0.55
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL3767268 0.88 PPARA (0.56) PPARAPPARGALDH1A1
SCHEMBL3767271 0.88 PPARA (0.56) PPARAPPARGALDH1A1
SCHEMBL3956558 0.86 PPARA (0.53) PPARAPPARGMAPT
SCHEMBL3959542 0.86 PPARA (0.53) PPARAPPARGMAPT
SCHEMBL3958880 0.85 PPARA (0.39) PPARAPPARG
SCHEMBL3959581 0.85 PPARA (0.49) PPARAPPARG
SCHEMBL3961695 0.85 PPARA (0.41) PPARAPPARGNPC1
SCHEMBL3962122 0.85 PPARA (0.50) PPARAPPARGLMNA
SCHEMBL3758621 0.85 PPARA (0.52) PPARAPPARGALDH1A1MAPTNPC1
SCHEMBL3959430 0.85 PPARG (0.53) PPARAPPARGALDH1A1MAPTNPC1

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