SCHEMBL8768759

SCHEMBL8768759

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1OCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.53
PPARG P37231 11/20 0.53
PPARD Q03181 6/20 0.48
SOAT1 P35610 1/20 0.44
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
ALDH1A1 P00352 1/20 0.38
FABP2 P12104 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8924425 0.92 PPARA (0.44) PPARAPPARGPPARDSOAT1HDAC3
SCHEMBL8768938 0.92 PPARA (0.54) PPARAPPARGPPARDSOAT1HDAC3
SCHEMBL8767844 0.88 PPARA (0.58) PPARAPPARGPPARDSOAT1HDAC3
SCHEMBL9260818 0.86 SOAT1 (0.43) PPARAPPARGSOAT1HDAC3HDAC1
SCHEMBL8768086 0.85 PPARA (0.61) PPARAPPARGPPARDSOAT1PSEN1
SCHEMBL8925426 0.83 PPARA (0.45) PPARAPPARGPPARDSOAT1HDAC3
SCHEMBL8768838 0.83 PPARA (0.48) PPARAPPARGPPARDSOAT1HDAC3
SCHEMBL8767768 0.82 PPARA (0.56) PPARAPPARGPPARDSOAT1
SCHEMBL8767784 0.80 PPARA (0.61) PPARAPPARGPPARDSOAT1HDAC3
SCHEMBL8767727 0.80 PPARA (0.61) PPARAPPARGPPARDSOAT1HDAC3

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 1 patent. 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