SCHEMBL4196971

SCHEMBL4196971

CCCc1cc(Cc2c(C)cc(OCP(=O)(OCC)OCC)cc2C)ccc1OCOC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.47
THRA P10827 9/20 0.47
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL282210 0.84 THRB (0.53) THRBTHRA
SCHEMBL31041250 0.84 THRB (0.53) THRBTHRA
SCHEMBL4189061 0.78 THRB (0.40) THRBTHRAOPRM1OPRD1OPRK1
SCHEMBL3165952 0.75 THRB (0.53) THRBTHRA
SCHEMBL4210590 0.75 THRB (0.42) THRBTHRA
SCHEMBL3162167 0.75 THRB (0.59) THRBTHRAPPARGPPARDPPARA
SCHEMBL282199 0.74 THRB (0.56) THRBTHRA
SCHEMBL4199500 0.74 THRB (0.41) THRBTHRA
SCHEMBL3886500 0.74 THRB (0.57) THRBTHRA
SCHEMBL283051 0.72 OPRK1 (0.39) THRBTHRAPPARGPPARDPPARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689383-A4 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2009-02-18 EP disclosed
EP-1689383-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2006-08-16 EP disclosed
WO-2005051298-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2005-06-09 WO disclosed