SCHEMBL8767679

SCHEMBL8767679

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.59
PPARG P37231 5/20 0.59
PPARD Q03181 2/20 0.54
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
TSHR P16473 1/20 0.50
SOAT1 P35610 1/20 0.49
MAPT P10636 2/20 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
SCHEMBL8767784 0.99 PPARA (0.61) PPARAPPARGPPARDHDAC1HDAC6
SCHEMBL8768686 0.99 PPARA (0.61) PPARAPPARGPPARDHDAC1HDAC6
SCHEMBL8767727 0.99 PPARA (0.61) PPARAPPARGPPARDHDAC1HDAC6
SCHEMBL8924339 0.93 GAA (0.52) PPARAPPARGPPARDHDAC1HDAC6
SCHEMBL8926283 0.92 PPARA (0.68) PPARAPPARGPPARDMAPT
SCHEMBL8767844 0.91 PPARA (0.58) PPARAPPARGPPARDHDAC1HDAC6
SCHEMBL6941878 0.91 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL8768980 0.89 PPARA (0.50) PPARAPPARGPPARDHDAC1HDAC6
SCHEMBL8768112 0.89 PPARA (0.56) PPARAPPARGPPARDHDAC1HDAC6
SCHEMBL8767827 0.89 GAA (0.52) PPARAPPARGPPARDGAAHTT

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 4 patents. 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
US-5658944-A ANTICHOLESTEROL AGENTS THE UNIVERSITY OF SOUTH CAROLINA (US) 1997-08-19 US disclosed
EP-0639178-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS. WELLCOME FOUND (GB) 1995-02-22 EP disclosed
WO-1992010468-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-06-25 WO disclosed