SCHEMBL5717877

SCHEMBL5717877

CNc1cc(C)cc(COc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)c1.CNc1cc(C)cc(COc2c(C)cc(NC(=O)CC(=O)O)cc2C)c1.CNc1cc(C)cc(COc2c(Cl)cc(NC(=O)CC(=O)O)cc2Cl)c1.CNc1cc(Cl)cc(COc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)c1.CNc1cc(Cl)cc(COc2c(C)cc(NC(=O)CC(=O)O)cc2C)c1.CNc1cc(Cl)cc(COc2c(Cl)cc(NC(=O)CC(=O)O)cc2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.36
THRB P10828 8/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
DHODH Q02127 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5722615 0.93 MEN1 (0.40) THRATHRBMRGPRX4DHODHALDH1A1
SCHEMBL5718012 0.90 THRA (0.38) THRATHRBMRGPRX4DHODHALDH1A1
SCHEMBL5717833 0.90 THRA (0.35) THRATHRBMRGPRX4DHODHALDH1A1
SCHEMBL4931746 0.87 ALDH1A1 (0.43) THRATHRBMRGPRX4ALDH1A1MAPT
SCHEMBL4934206 0.87 THRB (0.45) THRATHRBDHODHALDH1A1MEN1
SCHEMBL4930999 0.87 THRB (0.43) THRATHRBDHODH
SCHEMBL4934307 0.87 CYP1A2 (0.37) THRATHRBMRGPRX4ALDH1A1MEN1
SCHEMBL5718358 0.87 THRA (0.41) THRATHRBMRGPRX4DHODHALDH1A1
SCHEMBL4930955 0.86 L3MBTL1 (0.40) THRATHRBMRGPRX4ALDH1A1MEN1
SCHEMBL5718069 0.86 ALDH1A1 (0.38) THRATHRBMRGPRX4ALDH1A1MEN1

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