SCHEMBL6269595

SCHEMBL6269595

Cc1c(OC(=O)O)[nH]c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)c4ccc(F)cc4)c3)c(Cl)c12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 12/20 0.42
▸ THRA P10827 6/20 0.42
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ POLB P06746 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B3 P37058 1/20 0.31
▸ HSD17B2 P37059 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
SCHEMBL6269592 0.88 THRB (0.45) THRBTHRAPTGS1PTGS2POLB
SCHEMBL6273741 0.87 THRB (0.42) THRBTHRAPTGS1PTGS2LMNA
SCHEMBL6274795 0.82 THRB (0.45) THRBTHRAPTGS1PTGS2POLB
SCHEMBL6275877 0.78 THRA (0.66) THRBTHRA
SCHEMBL1640591 0.78 THRB (0.60) THRBTHRAPTGS1PTGS2POLB
SCHEMBL6275290 0.75 PTGS1 (0.40) THRBTHRAPTGS1PTGS2LMNA
SCHEMBL1642728 0.74 THRB (0.45) THRBTHRAPTGS1PTGS2LMNA
SCHEMBL4961949 0.72 POLB (0.43) THRBTHRAPOLBHSD17B3HSD17B2
SCHEMBL6854363 0.72 THRB (0.58) THRBTHRA
SCHEMBL6861848 0.72 THRB (0.42) THRBTHRAPOLBHSD17B3HSD17B2

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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