SCHEMBL14488987

SCHEMBL14488987

O=S(=O)(c1cc(Oc2c(Cl)cc(-c3nnn[nH]3)c3c2CCC3)ccc1O)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 16/20 0.52
THRA P10827 4/20 0.37
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
COMT P21964 2/20 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
SCHEMBL14488988 0.99 THRB (0.53) THRBTHRAALDH1A1KMT2A
SCHEMBL14489017 0.91 THRB (0.45) THRBTHRA
SCHEMBL14489323 0.86 THRB (0.39) THRBTHRA
SCHEMBL14488826 0.84 THRB (0.51) THRBTHRAALDH1A1KMT2A
SCHEMBL14489016 0.82 THRB (0.51) THRBTHRAALDH1A1
SCHEMBL14488858 0.82 THRB (0.53) THRBTHRAALDH1A1
SCHEMBL14488845 0.79 THRB (0.46) THRBTHRA
SCHEMBL14488977 0.75 THRB (0.53) THRBTHRAALDH1A1
SCHEMBL14488980 0.75 THRB (0.54) THRBTHRAALDH1A1
SCHEMBL14488851 0.73 THRB (0.40) THRBTHRAALDH1A1

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
US-7230031-B2 Thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-06-12 US disclosed
US-7230031-B2 Thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-06-12 US disclosed