SCHEMBL5722658

SCHEMBL5722658

CC(=O)Nc1cc(C)cc(COc2c(Br)cc(CC(F)C(=O)OC(=O)C(F)Cc3cc(Br)c(OCc4cc(NC(C)=O)cc(C(F)(F)F)c4)c(Br)c3)cc2Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.39
THRB P10828 4/20 0.39
NR2E1 Q9Y466 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.34
NFKB1 P19838 5/20 0.33
ATF1 P18846 1/20 0.33
JUN P05412 3/20 0.32
NFKB2 Q00653 3/20 0.32
RELA Q04206 3/20 0.32
XPO1 O14980 1/20 0.32
PTGER1 P34995 2/20 0.32
TACR1 P25103 5/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 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
SCHEMBL5722653 0.92 THRA (0.41) THRATHRBNR2E1MRGPRX4PTGER1
SCHEMBL5112643 0.87 THRA (0.44) THRATHRBNR2E1MRGPRX4PTGER1
SCHEMBL5116750 0.83 THRB (0.42) THRATHRBPTGER1TACR1MEN1
SCHEMBL5722697 0.81 THRA (0.46) THRATHRBMRGPRX4
SCHEMBL5722480 0.80 ALDH1A1 (0.37) THRATHRBPTGER1KDM4EMEN1
SCHEMBL5119332 0.79 THRB (0.43) THRATHRBNR2E1TACR1ALDH1A1
SCHEMBL5722499 0.79 THRA (0.35) THRATHRBPTGER1KDM4EMEN1
SCHEMBL5116916 0.78 THRB (0.50) THRATHRBNR2E1ALDH1A1LMNA
SCHEMBL5717851 0.78 THRA (0.37) THRATHRBTACR1KDM4EMEN1
SCHEMBL5107973 0.77 THRA (0.43) THRATHRBMRGPRX4PTGER1TACR1

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-1732532-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092316-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2005-10-06 WO disclosed