SCHEMBL27645307

SCHEMBL27645307

O=P(O)(Cc1ccc(Oc2ccc(O)c(Cc3ccc(F)cc3)c2)cc1)OCl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.44
THRB P10828 6/20 0.44
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
MAPT P10636 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
FDFT1 P37268 2/20 0.34
HSP90AA1 P07900 1/20 0.34
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL282164 0.77 THRA (0.59) THRATHRB
SCHEMBL27666404 0.75 THRA (0.59) THRATHRB
SCHEMBL27666422 0.75 THRA (0.44) THRATHRBMAPTHSP90AA1OXTR
SCHEMBL28303173 0.72 KEAP1 (0.52) THRATHRBMAPT
SCHEMBL6201748 0.71 NPC1 (0.49) THRATHRBMAPT
SCHEMBL3156760 0.71 THRA (0.59) THRATHRB
SCHEMBL3161424 0.71 THRA (0.52) THRATHRB
SCHEMBL13382158 0.70 THRA (0.50) THRATHRB
SCHEMBL13382173 0.70 THRA (0.52) THRATHRB
SCHEMBL3160749 0.69 THRB (0.57) THRATHRB

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
CN-101189248-A Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-28 CN disclosed
CN-101180097-A Novel phosphinic acid-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-14 CN disclosed
CN-1882327-A Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2006-12-20 CN disclosed