SCHEMBL8768938

SCHEMBL8768938

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)O)cc1)C(=O)Nc1ccc(OC)cc1OCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.54
PPARG P37231 10/20 0.54
PPARD Q03181 5/20 0.49
SOAT1 P35610 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
TSHR P16473 1/20 0.42
PLK1 P53350 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL8925426 0.92 PPARA (0.45) PPARAPPARGPPARDSOAT1HDAC1
SCHEMBL8768759 0.92 PPARA (0.53) PPARAPPARGPPARDSOAT1HDAC1
SCHEMBL8767784 0.89 PPARA (0.61) PPARAPPARGPPARDSOAT1HDAC1
SCHEMBL8767727 0.89 PPARA (0.61) PPARAPPARGPPARDSOAT1HDAC1
SCHEMBL8768686 0.89 PPARA (0.61) PPARAPPARGPPARDSOAT1HDAC1
SCHEMBL8767679 0.89 PPARA (0.59) PPARAPPARGPPARDSOAT1HDAC1
SCHEMBL8924425 0.83 PPARA (0.44) PPARAPPARGPPARDSOAT1HDAC1
SCHEMBL8767768 0.83 PPARA (0.56) PPARAPPARGPPARDSOAT1
SCHEMBL8926283 0.83 PPARA (0.68) PPARAPPARGPPARDPLK1PLK3
SCHEMBL8924339 0.82 GAA (0.52) PPARAPPARGPPARDHDAC1HDAC6

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-0639178-B1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS WELLCOME FOUND (GB) 1997-09-03 EP disclosed