SCHEMBL8925468

SCHEMBL8925468

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)Nc1c(F)cc(F)cc1OCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.47
PPARG P37231 6/20 0.47
SOAT1 P35610 1/20 0.46
PPARD Q03181 2/20 0.44
HDAC1 Q13547 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL8767768 0.92 PPARA (0.56) PPARAPPARGSOAT1PPARD
SCHEMBL8768903 0.92 PPARA (0.51) PPARAPPARGSOAT1PPARDHDAC1
SCHEMBL8925426 0.84 PPARA (0.45) PPARAPPARGSOAT1PPARDHDAC1
SCHEMBL8924425 0.83 PPARA (0.44) PPARAPPARGSOAT1PPARDHDAC1
SCHEMBL8768641 0.81 PPARA (0.51) PPARAPPARGSOAT1PPARDHDAC1
SCHEMBL8768616 0.81 PPARA (0.42) PPARAPPARGSOAT1PPARDHDAC1
SCHEMBL8768601 0.81 PPARG (0.70) PPARAPPARGSOAT1PPARD
SCHEMBL8768964 0.79 PPARA (0.46) PPARAPPARGSOAT1PPARDHDAC1
SCHEMBL8768687 0.79 PPARA (0.39) PPARAPPARGSOAT1PPARDHDAC1
SCHEMBL8768702 0.78 PPARA (0.44) PPARAPPARGSOAT1PPARDHDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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