SCHEMBL5718209

SCHEMBL5718209

CC(C)Nc1cccc(COc2c(Br)cc(CC(=O)O)cc2Br)c1Cl.CC(C)Nc1cccc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 16/20 0.41
THRA P10827 15/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
ABL1 P00519 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
RIN1 Q13671 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5717834 0.92 THRB (0.40) THRBTHRAALDH1A1HPGDMEN1
SCHEMBL4934091 0.91 HPGD (0.45) ALDH1A1HPGDMEN1ABL1LMNA
SCHEMBL5722530 0.90 ALDH1A1 (0.40) THRBTHRAALDH1A1HPGDMEN1
SCHEMBL4354106 0.90 THRA (0.40) THRBTHRAALDH1A1HPGDMEN1
SCHEMBL4927363 0.90 THRB (0.49) THRBTHRAFABP4FABP5
SCHEMBL5722612 0.89 THRB (0.48) THRBTHRAALDH1A1HPGDMEN1
SCHEMBL5718210 0.89 KMT2A (0.38) THRBTHRAALDH1A1HPGDMEN1
SCHEMBL5717888 0.88 THRB (0.39) THRBTHRAALDH1A1HPGDMEN1
SCHEMBL4933400 0.87 THRA (0.44) THRBTHRAALDH1A1HPGDMEN1
SCHEMBL5717843 0.86 HPGD (0.40) THRBTHRAALDH1A1HPGDMEN1

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