SCHEMBL8924339

SCHEMBL8924339

CCCN(Cc1ccc(OC(C)(C)C(=O)O)cc1)C(=O)Nc1ccc(OC)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
TSHR P16473 1/20 0.52
PPARA Q07869 9/20 0.52
PPARG P37231 4/20 0.52
PPARD Q03181 3/20 0.52
MAPT P10636 2/20 0.50
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL8767679 0.93 PPARA (0.59) GAAHTTTSHRPPARAPPARG
SCHEMBL8768686 0.93 PPARA (0.61) GAAHTTTSHRPPARAPPARG
SCHEMBL8767727 0.93 PPARA (0.61) GAAHTTTSHRPPARAPPARG
SCHEMBL8767784 0.93 PPARA (0.61) GAAHTTTSHRPPARAPPARG
SCHEMBL8767827 0.91 GAA (0.52) GAAHTTTSHRPPARAPPARG
SCHEMBL8768099 0.90 TSHR (0.52) GAAHTTTSHRPPARAPPARG
SCHEMBL8768167 0.88 PPARA (0.57) GAAHTTTSHRPPARAPPARG
SCHEMBL8926283 0.85 PPARA (0.68) PPARAPPARGPPARDMAPT
SCHEMBL8768931 0.85 PPARA (0.52) GAAHTTTSHRPPARAPPARG
SCHEMBL8767844 0.85 PPARA (0.58) GAAHTTTSHRPPARAPPARG

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
US-5658944-A ANTICHOLESTEROL AGENTS THE UNIVERSITY OF SOUTH CAROLINA (US) 1997-08-19 US disclosed