SCHEMBL5717857

SCHEMBL5717857

Cc1cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c(F)c(NCC2CC2)c1.Cc1cc(COc2c(Br)cc(CCC(=O)O)cc2Br)c(F)c(NCC2CC2)c1.O=C(O)CCc1cc(Cl)c(OCc2cc(Cl)cc(NCC3CC3)c2F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 15/20 0.39
THRB P10828 15/20 0.39
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
F10 P00742 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
FFAR1 O14842 1/20 0.31
CRHR1 P34998 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31

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
SCHEMBL5717918 0.96 THRB (0.37) THRATHRBESR1NR3C1PGR
SCHEMBL5717863 0.93 THRA (0.41) THRATHRBESR1NR3C1PGR
SCHEMBL5717844 0.89 THRA (0.36) THRATHRBESR1NR3C1PGR
SCHEMBL5718003 0.89 THRA (0.39) THRATHRBESR1NR3C1PGR
SCHEMBL4934021 0.87 CRHR1 (0.34) THRATHRBF10CRHR1
SCHEMBL5717932 0.87 THRB (0.38) THRATHRBESR1NR3C1PGR
SCHEMBL5717983 0.87 THRA (0.43) THRATHRBESR1NR3C1PGR
SCHEMBL4934616 0.87 CACNA1I (0.35) F10CRHR1KCNH2CACNA1I
SCHEMBL5718222 0.86 THRB (0.40) THRATHRBESR1NR3C1PGR
SCHEMBL5717896 0.86 THRA (0.37) THRATHRBESR1NR3C1PGR

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