SCHEMBL8768837

SCHEMBL8768837

CCCCCCCN(CCc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)Nc1ccc(F)cc1F

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.82
PPARA Q07869 7/20 0.82
PPARD Q03181 3/20 0.64
SOAT1 P35610 3/20 0.59
SOAT2 O75908 2/20 0.47

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
SCHEMBL8768601 0.92 PPARG (0.70) PPARGPPARAPPARDSOAT1SOAT2
SCHEMBL8159724 0.91 PPARA (1.00) PPARGPPARAPPARDSOAT1SOAT2
SCHEMBL8160184 0.88 PPARA (0.81) PPARGPPARAPPARDSOAT1
SCHEMBL6060924 0.85 PPARG (1.00) PPARGPPARAPPARDSOAT1SOAT2
SCHEMBL29376860 0.85 PPARG (1.00) PPARGPPARAPPARDSOAT1SOAT2
SCHEMBL8925577 0.85 PPARA (0.60) PPARGPPARAPPARD
SCHEMBL14577557 0.84 PPARA (0.85) PPARGPPARAPPARDSOAT1
SCHEMBL8925066 0.82 PPARA (0.85) PPARGPPARAPPARDSOAT1SOAT2
SCHEMBL28023966 0.82 PPARG (0.72) PPARGPPARAPPARDSOAT1SOAT2
SCHEMBL17471275 0.81 PPARG (0.85) PPARGPPARAPPARDSOAT1

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