SCHEMBL4569628

SCHEMBL4569628

Cc1cc(COc2c(Cl)cc(CC(=O)O)cc2Cl)cc(NS(C)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.41
THRA P10827 7/20 0.41
ACLY P53396 1/20 0.38
NPC1 O15118 1/20 0.37
AR P10275 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
PTGER1 P34995 1/20 0.35

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
SCHEMBL4534757 0.90 THRB (0.41) THRBTHRAACLYARHPGD
SCHEMBL5104431 0.89 THRA (0.47) THRBTHRAACLYARGRIN1
SCHEMBL4933734 0.85 THRB (0.45) THRBTHRA
SCHEMBL5119963 0.85 GRIN1 (0.41) THRBTHRANPC1ARHPGD
SCHEMBL5109829 0.84 PPARD (0.44) THRBTHRAACLYSMN1; SMN2PTGDR2
SCHEMBL5117669 0.84 FFAR1 (0.37) NPC1ARHPGDRAB9ASMN1; SMN2
SCHEMBL4355861 0.83 THRB (0.44) THRBTHRAGAAMAPT
SCHEMBL5109969 0.83 THRB (0.43) THRBTHRAHPGDSMN1; SMN2
SCHEMBL4930990 0.82 THRB (0.42) THRBTHRA
SCHEMBL4932176 0.81 THRB (0.41) THRBTHRAGAAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO claimed