SCHEMBL8768912

SCHEMBL8768912

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)Oc1ccccc1OCC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.49
PPARG P37231 5/20 0.49
PPARD Q03181 2/20 0.43
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
LPAR1 Q92633 3/20 0.40
LPAR5 Q9H1C0 3/20 0.40
CNR2 P34972 1/20 0.40
FBP1 P09467 2/20 0.38
SOAT1 P35610 1/20 0.37

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
SCHEMBL8768932 0.86 HDAC6 (0.50) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL8768149 0.84 PPARA (0.59) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL8768076 0.84 PPARA (0.59) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL8768853 0.81 HDAC6 (0.49) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL8767877 0.81 HDAC6 (0.59) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL8925569 0.81 PPARA (0.43) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL8767691 0.80 PPARA (0.50) PPARAPPARGPPARDLPAR1LPAR5
SCHEMBL8768990 0.80 PPARA (0.50) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL8768879 0.80 PPARA (0.49) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL8769015 0.80 PPARA (0.49) PPARAPPARGPPARDABCB11CYP1A2

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