SCHEMBL8767912

SCHEMBL8767912

CCCCCCCN(Cc1ccccc1OC(C)(C)C(=O)OCC)C(=O)Nc1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.48
PPARG P37231 5/20 0.46
PPARA Q07869 5/20 0.46
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PPARD Q03181 2/20 0.40
SOAT2 O75908 2/20 0.40
GUSB P08236 1/20 0.40
EGFR P00533 1/20 0.39
ACHE P22303 1/20 0.39
FBP1 P09467 1/20 0.39

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
SCHEMBL8768928 0.84 SOAT1 (0.44) SOAT1PPARGPPARAHDAC3HDAC1
SCHEMBL8925558 0.84 PPARA (0.40) SOAT1PPARGPPARAHDAC3HDAC1
SCHEMBL8768643 0.83 ALDH1A1 (0.46) SOAT1PPARGPPARAEGFRFBP1
SCHEMBL8925673 0.83 HDAC1 (0.44) SOAT1PPARGPPARAHDAC3HDAC1
SCHEMBL8768879 0.78 PPARA (0.49) SOAT1PPARGPPARAHDAC3HDAC1
SCHEMBL8767877 0.78 HDAC6 (0.59) SOAT1PPARGPPARAHDAC3HDAC1
SCHEMBL8768932 0.78 HDAC6 (0.50) SOAT1PPARGPPARAHDAC3HDAC1
SCHEMBL8768601 0.77 PPARG (0.70) SOAT1PPARGPPARAPPARDSOAT2
SCHEMBL8767691 0.77 PPARA (0.50) SOAT1PPARGPPARAHDAC3HDAC1
SCHEMBL8768853 0.77 HDAC6 (0.49) SOAT1PPARGPPARAHDAC3HDAC1

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