SCHEMBL7195017

SCHEMBL7195017

CC(C)CNc1ccc(Oc2c(Cl)cc(CCC(=O)O)cc2Cl)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 17/20 0.59
THRB P10828 17/20 0.59
PCNA P12004 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7194241 0.89 THRA (0.74) THRATHRB
SCHEMBL5388459 0.85 THRB (0.81) THRATHRBPCNAPOLBMAPK1
SCHEMBL5387098 0.84 THRB (0.73) THRATHRBPCNAPOLBMAPK1
SCHEMBL4566353 0.78 THRB (0.56) THRATHRB
SCHEMBL5386315 0.77 THRA (0.55) THRATHRBPCNAPOLBMAPK1
SCHEMBL3136249 0.75 THRB (0.79) THRATHRB
SCHEMBL5392866 0.74 THRA (1.00) THRATHRB
SCHEMBL5387389 0.74 THRA (0.88) THRATHRB
SCHEMBL7073265 0.74 THRB (0.76) THRATHRB
SCHEMBL7069853 0.73 THRA (1.00) THRATHRBPCNAPOLBMAPK1

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-1296936-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2003-04-02 EP disclosed
WO-2001098256-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2001-12-27 WO disclosed