SCHEMBL8768673

SCHEMBL8768673

CCCCCCCC(NC(=O)Nc1c(C)cccc1C(C)C)c1ccc(OC(C)(C)C(=O)OCC)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
NLRP3 Q96P20 1/20 0.43

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
SCHEMBL8768132 0.88 PPARA (0.43) PPARGPPARANLRP3
SCHEMBL8769019 0.85 UTS2R (0.47) PPARGPPARA
SCHEMBL8768911 0.82 PPARA (0.48) PPARGPPARA
SCHEMBL8768713 0.80 PPARA (0.39) MAPK1PPARGPPARA
SCHEMBL8767887 0.79 PPARA (0.43) PPARGPPARA
SCHEMBL8767854 0.78 PPARA (0.41) MAPK1PPARGPPARA
SCHEMBL8768971 0.78 PPARA (0.41) PPARGPPARA
SCHEMBL8768885 0.78 PPARA (0.41) PPARGPPARA
SCHEMBL8768859 0.78 NPC1 (0.42) MAPK1PPARGPPARA
SCHEMBL8767702 0.78 L3MBTL1 (0.45) PPARGPPARA

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 4 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
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