SCHEMBL5718002

SCHEMBL5718002

CCNc1cc(Cl)cc(COc2c(Br)cc(CC(F)C(=O)OC(=O)C(F)Cc3cc(Br)c(OCc4cc(Cl)cc(NC(C)C)c4Cl)c(Br)c3)cc2Br)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5717998 0.92 THRB (0.36) THRATHRBKDM4EALDH1A1LMNA
SCHEMBL4530626 0.86 THRB (0.35) THRATHRBKDM4EALDH1A1LMNA
SCHEMBL4932175 0.86 THRB (0.39) THRATHRBKDM4EALDH1A1LMNA
SCHEMBL5717947 0.84 THRB (0.42) THRATHRBKDM4EALDH1A1LMNA
SCHEMBL5717941 0.83 THRB (0.52) THRATHRB
SCHEMBL4349944 0.76 THRA (0.54) THRATHRB
SCHEMBL4361635 0.75 THRB (0.58) THRATHRB
SCHEMBL4360479 0.74 THRB (0.45) THRATHRBKDM4EALDH1A1LMNA
SCHEMBL4348405 0.73 SMN1; SMN2 (0.39) THRATHRBLMNAKMT2A
SCHEMBL4561844 0.73 THRB (0.37) THRATHRBKDM4EALDH1A1LMNA

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