SCHEMBL8768867

SCHEMBL8768867

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)Nc1ccccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.48
PPARG P37231 4/20 0.48
PPARD Q03181 1/20 0.47
SOAT1 P35610 3/20 0.45
HDAC6 Q9UBN7 4/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
LTB4R2 Q9NPC1 2/20 0.40
CNR2 P34972 1/20 0.40
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL8768899 0.91 PPARA (0.57) PPARAPPARGPPARDSOAT1HDAC6
SCHEMBL8769015 0.89 PPARA (0.49) PPARAPPARGPPARDSOAT1HDAC6
SCHEMBL8767691 0.88 PPARA (0.50) PPARAPPARGPPARDSOAT1HDAC6
SCHEMBL8767964 0.88 SOAT1 (0.47) PPARAPPARGPPARDSOAT1HDAC6
SCHEMBL8767877 0.87 HDAC6 (0.59) PPARAPPARGPPARDSOAT1HDAC6
SCHEMBL8767840 0.87 PPARA (0.47) PPARAPPARGPPARDSOAT1HDAC6
SCHEMBL8768932 0.87 HDAC6 (0.50) PPARAPPARGPPARDSOAT1HDAC6
SCHEMBL8768126 0.86 PPARA (0.46) PPARAPPARGPPARDSOAT1HDAC6
SCHEMBL8768853 0.85 HDAC6 (0.49) PPARAPPARGPPARDSOAT1HDAC6
SCHEMBL8768879 0.85 PPARA (0.49) PPARAPPARGPPARDSOAT1HDAC6

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 2 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