SCHEMBL6269989

SCHEMBL6269989

O=C(O)Oc1cc2c(Cl)c(Oc3ccc(O)c(S(=O)(=O)NC4CCC4)c3)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.37
▸ MCOLN3 Q8TDD5 1/20 0.37
▸ BRD4 O60885 4/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ BRD3 Q15059 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ THRA P10827 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CPT2 P23786 1/20 0.32
▸ CPT1A P50416 1/20 0.32
▸ CPT1B Q92523 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PARG Q86W56 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ LMNA P02545 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
SCHEMBL6269983 0.88 THRB (0.47) THRBALDH1A1MCOLN3BRD4BRD2
SCHEMBL6273242 0.83 THRB (0.49) THRBBRD4BRD2BRD3THRA
SCHEMBL6268718 0.80 THRB (0.46) THRBALDH1A1MCOLN3BRD4BRD2
SCHEMBL6271002 0.77 THRB (0.41) THRBBRD4BRD2BRD3THRA
SCHEMBL1641445 0.75 THRB (0.58) THRBALDH1A1MCOLN3BRD4BRD2
SCHEMBL6271809 0.72 THRB (0.54) THRBTHRA
SCHEMBL1640579 0.71 THRB (0.59) THRBTHRA
SCHEMBL6270967 0.70 THRB (0.51) THRBBRD4BRD2BRD3THRA
SCHEMBL6274988 0.69 THRB (0.51) THRBALDH1A1BRD4BRD2BRD3
SCHEMBL6269972 0.69 THRB (0.62) THRBALDH1A1MCOLN3BRD4BRD2

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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