SCHEMBL6274795

SCHEMBL6274795

O=C(O)Oc1cc2c(Cl)c(Oc3ccc(O)c(S(=O)(=O)c4ccc(F)cc4)c3)c(Cl)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 6/20 0.45
▸ THRA P10827 3/20 0.45
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ POLB P06746 1/20 0.33
▸ COMT P21964 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HSD17B3 P37058 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ LGALS8 O00214 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.31

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
SCHEMBL1640591 0.87 THRB (0.60) THRBTHRAPTGS1PTGS2POLB
SCHEMBL6275290 0.84 PTGS1 (0.40) THRBTHRAPTGS1PTGS2LMNA
SCHEMBL6269595 0.82 THRB (0.42) THRBTHRAPTGS1PTGS2POLB
SCHEMBL6273242 0.80 THRB (0.49) THRBTHRA
SCHEMBL6271809 0.78 THRB (0.54) THRBTHRA
SCHEMBL6269592 0.78 THRB (0.45) THRBTHRAPTGS1PTGS2POLB
SCHEMBL6275042 0.76 THRA (0.74) THRBTHRA
SCHEMBL4961949 0.74 POLB (0.43) THRBTHRAPOLBCOMTHSD17B3
SCHEMBL6854363 0.74 THRB (0.58) THRBTHRA
SCHEMBL6861917 0.74 THRB (0.41) THRBTHRAPOLBCOMTHSD17B3

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
EP-1297833-B1 Indole carboxylic acids as thyroid receptor ligands PFIZER PROD INC (US) 2005-12-21 — — EP claimed
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