SCHEMBL8768641

SCHEMBL8768641

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)Nc1c(F)cccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.51
PPARG P37231 6/20 0.51
PPARD Q03181 2/20 0.51
SOAT1 P35610 1/20 0.49
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
HDAC6 Q9UBN7 5/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC3 O15379 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC9 Q9UKV0 2/20 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
SCHEMBL8768890 0.91 PPARA (0.53) PPARAPPARGPPARDSOAT1ABCB11
SCHEMBL8768964 0.90 PPARA (0.46) PPARAPPARGPPARDSOAT1LPAR1
SCHEMBL8767753 0.90 PPARA (0.62) PPARAPPARGPPARDSOAT1LPAR1
SCHEMBL8768990 0.88 PPARA (0.50) PPARAPPARGPPARDSOAT1LPAR1
SCHEMBL8925423 0.88 PPARA (0.49) PPARAPPARGPPARDSOAT1
SCHEMBL8768616 0.86 PPARA (0.42) PPARAPPARGPPARDSOAT1LPAR1
SCHEMBL8768903 0.86 PPARA (0.51) PPARAPPARGPPARDSOAT1LPAR1
SCHEMBL8768665 0.85 PPARA (0.47) PPARAPPARGPPARDSOAT1NLRP3
SCHEMBL8768601 0.85 PPARG (0.70) PPARAPPARGPPARDSOAT1
SCHEMBL8767760 0.85 PPARA (0.48) PPARAPPARGPPARDSOAT1ABCB11

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