SCHEMBL8768888

SCHEMBL8768888

CCCN(Cc1ccc(OC(C)(C)C(=O)O)cc1)C(=O)Nc1c(OC)cccc1OC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.50
LPAR5 Q9H1C0 5/20 0.50
PPARA Q07869 10/20 0.48
PPARG P37231 6/20 0.48
PPARD Q03181 2/20 0.48
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 1/20 0.43

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
SCHEMBL8767593 0.84 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL8924339 0.84 GAA (0.52) PPARAPPARGPPARDHDAC3HDAC1
SCHEMBL8768112 0.84 PPARA (0.56) LPAR1LPAR5PPARAPPARGPPARD
SCHEMBL8768990 0.82 PPARA (0.50) LPAR1LPAR5PPARAPPARGPPARD
SCHEMBL8767753 0.79 PPARA (0.62) LPAR1LPAR5PPARAPPARGPPARD
SCHEMBL8767679 0.78 PPARA (0.59) PPARAPPARGPPARDHDAC3HDAC1
SCHEMBL8767730 0.78 PPARA (0.46) LPAR1LPAR5PPARAPPARGPPARD
SCHEMBL8767784 0.77 PPARA (0.61) PPARAPPARGPPARDHDAC3HDAC1
SCHEMBL8767727 0.77 PPARA (0.61) PPARAPPARGPPARDHDAC3HDAC1
SCHEMBL8768686 0.77 PPARA (0.61) PPARAPPARGPPARDHDAC3HDAC1

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