SCHEMBL3956356

SCHEMBL3956356

CCC(=NOCCCCC1COC(C)(C(=O)O)OC1C)c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.43
PPARG P37231 7/20 0.43
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PKM P14618 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
SCHEMBL3960123 0.91 PPARA (0.42) PPARAPPARGL3MBTL1MAPTTHRB
SCHEMBL3763324 0.90 PPARA (0.48) PPARAPPARGL3MBTL1MAPTALDH1A1
SCHEMBL3759904 0.87 PPARA (0.50) PPARAPPARGL3MBTL1
SCHEMBL3759907 0.87 PPARA (0.50) PPARAPPARGL3MBTL1
SCHEMBL3763027 0.84 PPARA (0.39) PPARAPPARGALDH1A1PSEN1PSEN2
SCHEMBL3769310 0.83 PPARA (0.44) PPARAPPARG
SCHEMBL3776262 0.82 PPARA (0.39) PPARAPPARGALDH1A1PSEN1PSEN2
SCHEMBL5448514 0.81 PPARA (0.44) PPARAPPARGMAPTALDH1A1
SCHEMBL3758770 0.81 PPARA (0.42) PPARAPPARGALDH1A1
SCHEMBL3762603 0.81 PPARA (0.39) 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