SCHEMBL8768903

SCHEMBL8768903

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)Nc1c(F)cc(F)cc1OCC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.51
PPARG P37231 6/20 0.51
SOAT1 P35610 1/20 0.50
PPARD Q03181 2/20 0.48
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.37
PMP22 Q01453 1/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
FBP1 P09467 1/20 0.35

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
SCHEMBL8925468 0.92 PPARA (0.47) PPARAPPARGSOAT1PPARDABCB11
SCHEMBL8768641 0.86 PPARA (0.51) PPARAPPARGSOAT1PPARDABCB11
SCHEMBL8768702 0.85 PPARA (0.44) PPARAPPARGSOAT1PPARDABCB11
SCHEMBL8768601 0.85 PPARG (0.70) PPARAPPARGSOAT1PPARD
SCHEMBL8768964 0.83 PPARA (0.46) PPARAPPARGSOAT1PPARDABCB11
SCHEMBL8767768 0.83 PPARA (0.56) PPARAPPARGSOAT1PPARD
SCHEMBL8768932 0.82 HDAC6 (0.50) PPARAPPARGSOAT1PPARDABCB11
SCHEMBL8768890 0.82 PPARA (0.53) PPARAPPARGSOAT1PPARDABCB11
SCHEMBL8925569 0.82 PPARA (0.43) PPARAPPARGSOAT1PPARDABCB11
SCHEMBL8768990 0.81 PPARA (0.50) PPARAPPARGSOAT1PPARDABCB11

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