SCHEMBL5717867

SCHEMBL5717867

O=C(CCc1cc(Br)c(OCc2cc(Cl)cc(NCC3CC3)c2F)c(Br)c1)OC(=O)CNC(=O)c1cc(Br)c(OCc2cc(Cl)cc(NCC3CC3)c2F)c(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.33
THRB P10828 7/20 0.33
CACNA1I Q9P0X4 5/20 0.33
F10 P00742 1/20 0.32
KCNH2 Q12809 3/20 0.32
CRHR1 P34998 1/20 0.31
CACNA1G O43497 1/20 0.30
CACNA1H O95180 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
SCHEMBL5717863 0.90 THRA (0.41) THRATHRBCACNA1IF10KCNH2
SCHEMBL5717883 0.89 THRA (0.38) THRATHRBF10CRHR1
SCHEMBL5717853 0.86 THRA (0.37) THRATHRB
SCHEMBL4934616 0.86 CACNA1I (0.35) CACNA1IF10KCNH2CRHR1CACNA1G
SCHEMBL4923398 0.84 THRA (0.48) THRATHRB
SCHEMBL5717857 0.83 THRA (0.39) THRATHRBCACNA1IF10KCNH2
SCHEMBL5717918 0.80 THRB (0.37) THRATHRB
SCHEMBL5717844 0.79 THRA (0.36) THRATHRBF10
SCHEMBL5717878 0.78 THRA (0.46) THRATHRB
SCHEMBL5717989 0.78 THRA (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092317-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2005-10-06 WO disclosed