SCHEMBL8768086

SCHEMBL8768086

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.61
PPARG P37231 9/20 0.61
PPARD Q03181 5/20 0.55
SOAT1 P35610 1/20 0.53
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.41
FABP2 P12104 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8767844 0.90 PPARA (0.58) PPARAPPARGPPARDSOAT1PSEN1
SCHEMBL8768666 0.89 PPARA (0.57) PPARAPPARGPPARDSOAT1PSEN1
SCHEMBL8768663 0.87 PPARA (0.69) PPARAPPARGPPARDSOAT1PSEN1
SCHEMBL8768759 0.85 PPARA (0.53) PPARAPPARGPPARDSOAT1PSEN1
SCHEMBL8767784 0.84 PPARA (0.61) PPARAPPARGPPARDSOAT1MAPT
SCHEMBL8767727 0.84 PPARA (0.61) PPARAPPARGPPARDSOAT1MAPT
SCHEMBL8925066 0.84 PPARA (0.85) PPARAPPARGPPARDSOAT1
SCHEMBL8768686 0.84 PPARA (0.61) PPARAPPARGPPARDSOAT1MAPT
SCHEMBL8767679 0.83 PPARA (0.59) PPARAPPARGPPARDSOAT1MAPT
SCHEMBL8768838 0.81 PPARA (0.48) 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 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