SCHEMBL8767713

SCHEMBL8767713

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.51
PPARG P37231 5/20 0.51
PPARD Q03181 1/20 0.51
ABCB11 O95342 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.45
PMP22 Q01453 1/20 0.45
SOAT1 P35610 1/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
HDAC6 Q9UBN7 5/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC3 O15379 2/20 0.40

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
SCHEMBL8768812 0.90 PPARA (0.56) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL8768869 0.90 PPARA (0.56) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL8768902 0.87 PPARA (0.48) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL8768649 0.87 PPARA (0.48) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL8768871 0.83 PPARA (0.46) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL8768702 0.82 PPARA (0.44) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL8768890 0.82 PPARA (0.53) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL8767760 0.81 PPARA (0.48) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL8768838 0.81 PPARA (0.48) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL8769015 0.81 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 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