SCHEMBL8767756

SCHEMBL8767756

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)C(OC)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.46
PPARG P37231 4/20 0.46
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
PPARD Q03181 2/20 0.39
CNR2 P34972 4/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
FBP1 P09467 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8768110 0.82 PPARA (0.49) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL8767761 0.78 PPARA (0.48) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL8768149 0.77 PPARA (0.59) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL8768076 0.77 PPARA (0.59) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL8768980 0.76 PPARA (0.50) PPARAPPARGCYP3A4TSHRPPARD
SCHEMBL8768990 0.76 PPARA (0.50) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL8768912 0.75 PPARA (0.49) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL8767877 0.75 HDAC6 (0.59) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL8768890 0.74 PPARA (0.53) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL8768869 0.73 PPARA (0.56) PPARAPPARGABCB11CYP1A2CYP3A4

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