SCHEMBL5717883

SCHEMBL5717883

O=C(CCc1cc(Br)c(OCc2cccc(NCC3CC3)c2F)c(Br)c1)OC(=O)CNC(=O)c1cc(Br)c(OCc2cccc(NCC3CC3)c2F)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 11/20 0.38
THRB P10828 11/20 0.38
ESR1 P03372 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
GLA P06280 1/20 0.31
CRHR1 P34998 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
SCHEMBL5717878 0.90 THRA (0.46) THRATHRBESR1NR3C1PGR
SCHEMBL5717867 0.89 THRA (0.33) THRATHRBCRHR1F10
SCHEMBL4931158 0.84 THRA (0.54) THRATHRBESR1NR3C1PGR
SCHEMBL5717921 0.83 THRA (0.34) THRATHRBESR1NR3C1PGR
SCHEMBL5722600 0.80 THRA (0.37) THRATHRBESR1NR3C1PGR
SCHEMBL5717863 0.78 THRA (0.41) THRATHRBESR1NR3C1PGR
SCHEMBL5717928 0.78 THRA (0.44) THRATHRBESR1NR3C1PGR
SCHEMBL4933390 0.76 CRHR1 (0.36) THRATHRBHDAC3HDAC4HDAC1
SCHEMBL5717853 0.76 THRA (0.37) THRATHRBESR1NR3C1PGR
SCHEMBL5717829 0.75 THRA (0.38) 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