SCHEMBL4962963

SCHEMBL4962963

Cc1cc(OCP(=O)(O)O)cc(C)c1Cc1ccc(O)c([AsH]S(C)(=O)=O)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 17/20 0.69
THRA P10827 16/20 0.69
PTPN1 P18031 1/20 0.40
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL3147737 0.83 THRB (0.74) THRBTHRAPTPN1ESR1ESR2
SCHEMBL10274395 0.82 THRB (1.00) THRBTHRAPTPN1ESR1ESR2
SCHEMBL282702 0.80 THRA (0.69) THRBTHRAPTPN1
SCHEMBL282128 0.79 THRB (0.79) THRBTHRAPTPN1
SCHEMBL328325 0.79 THRB (1.00) THRBTHRAPTPN1ESR1ESR2
SCHEMBL328535 0.79 THRB (0.67) THRBTHRAPTPN1
SCHEMBL283501 0.78 THRB (0.69) THRBTHRAPTPN1
Mb07344 SCHEMBL282003 0.77 THRB (1.00) THRBTHRA
SCHEMBL21565925 0.77 THRB (0.76) THRBTHRAPTPN1
SCHEMBL282663 0.77 THRB (0.76) THRBTHRAPTPN1ESR1ESR2

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-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed