SCHEMBL8768666

SCHEMBL8768666

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)O)cc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.57
PPARG P37231 11/20 0.57
PPARD Q03181 4/20 0.57
SOAT1 P35610 1/20 0.46
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.40
FABP2 P12104 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8767856 0.92 PPARA (0.68) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL8768902 0.90 PPARA (0.48) PPARAPPARGPPARDSOAT1CYP1A2
SCHEMBL8768649 0.90 PPARA (0.48) PPARAPPARGPPARDSOAT1CYP1A2
SCHEMBL8768086 0.89 PPARA (0.61) PPARAPPARGPPARDSOAT1PSEN1
SCHEMBL8768663 0.87 PPARA (0.69) PPARAPPARGPPARDSOAT1PSEN1
SCHEMBL9784419 0.86 THRB (0.47) SOAT1CNR2
SCHEMBL8768112 0.84 PPARA (0.56) PPARAPPARGPPARDSOAT1CYP3A4
SCHEMBL8767753 0.84 PPARA (0.62) PPARAPPARGPPARDSOAT1
SCHEMBL9784487 0.84 SOAT1 (0.48) SOAT1CNR2
SCHEMBL8768702 0.84 PPARA (0.44) PPARAPPARGPPARDSOAT1CYP1A2

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 5 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 claimed
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