SCHEMBL8767964

SCHEMBL8767964

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.47
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
HDAC6 Q9UBN7 5/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC3 O15379 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC8 Q9BY41 2/20 0.46
PPARD Q03181 1/20 0.45
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
LTB4R2 Q9NPC1 2/20 0.42
CNR2 P34972 1/20 0.40
CHRM3 P20309 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) SOAT1PPARGPPARAHDAC6HDAC1
SCHEMBL8768867 0.88 PPARA (0.48) SOAT1PPARGPPARAHDAC6HDAC1
SCHEMBL8768880 0.81 SOAT1 (0.51) SOAT1PPARGPPARAHDAC6HDAC1
SCHEMBL8768146 0.78 SOAT1 (0.48) SOAT1PPARGPPARAHDAC6HDAC1
SCHEMBL8769015 0.76 PPARA (0.49) SOAT1PPARGPPARAHDAC6HDAC1
SCHEMBL8767691 0.75 PPARA (0.50) SOAT1PPARGPPARAHDAC6HDAC1
SCHEMBL8768932 0.74 HDAC6 (0.50) SOAT1PPARGPPARAHDAC6HDAC1
SCHEMBL8767877 0.74 HDAC6 (0.59) SOAT1PPARGPPARAHDAC6HDAC1
SCHEMBL8767840 0.74 PPARA (0.47) SOAT1PPARGPPARAHDAC6HDAC1
SCHEMBL13809725 0.74 HDAC1 (0.44) PPARGPPARAHDAC6HDAC1HDAC3

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