SCHEMBL8768601

SCHEMBL8768601

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)Nc1ccc(F)cc1F

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.70
PPARA Q07869 6/20 0.70
SOAT1 P35610 3/20 0.70
PPARD Q03181 3/20 0.54
SOAT2 O75908 2/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL8768837 0.92 PPARG (0.82) PPARGPPARASOAT1PPARDSOAT2
SCHEMBL8925066 0.90 PPARA (0.85) PPARGPPARASOAT1PPARDSOAT2
SCHEMBL10587602 0.85 SOAT1 (0.86) PPARGPPARASOAT1PPARDSOAT2
SCHEMBL9257327 0.85 SOAT1 (0.86) PPARGPPARASOAT1PPARDSOAT2
SCHEMBL8768903 0.85 PPARA (0.51) PPARGPPARASOAT1PPARD
SCHEMBL8768641 0.85 PPARA (0.51) PPARGPPARASOAT1PPARD
SCHEMBL8768980 0.84 PPARA (0.50) PPARGPPARASOAT1PPARDMAPT
SCHEMBL9577687 0.84 SOAT1 (0.75) PPARGPPARASOAT1PPARDSOAT2
SCHEMBL8769015 0.84 PPARA (0.49) PPARGPPARASOAT1PPARD
SCHEMBL8768879 0.84 PPARA (0.49) PPARGPPARASOAT1PPARD

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