SCHEMBL3956558

SCHEMBL3956558

CC(=NOCCCCC1COC(C)(OC(=O)O)OC1)c1ccc(C)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.53
PPARG P37231 14/20 0.53
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
MAPT P10636 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 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
SCHEMBL3959542 1.00 PPARA (0.53) PPARAPPARGRXRARXRBRXRG
SCHEMBL3961687 0.91 PPARA (0.47) PPARAPPARG
SCHEMBL3756990 0.89 PPARA (0.53) PPARAPPARG
SCHEMBL3756986 0.89 PPARA (0.53) PPARAPPARG
SCHEMBL3959581 0.89 PPARA (0.49) PPARAPPARG
SCHEMBL3767252 0.88 PPARA (0.54) PPARAPPARG
SCHEMBL3767259 0.88 PPARA (0.54) PPARAPPARG
SCHEMBL3961592 0.87 PPARA (0.42) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL3961695 0.87 PPARA (0.41) PPARAPPARG
SCHEMBL3962122 0.86 PPARA (0.50) 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