SCHEMBL7083892

SCHEMBL7083892

COc1ccc(S(=O)(=O)c2c[nH]c3ccc(Oc4c(C)cc([O])cc4C)cc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
TP53 P04637 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
HTT P42858 3/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
RXFP1 Q9HBX9 2/20 0.45
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
GAA P10253 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL7090331 0.92 MAPT (0.69) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL7089708 0.88 MAPT (0.63) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL7090097 0.88 MAPT (0.66) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL7092536 0.88 MAPT (0.63) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL7092489 0.87 MAPT (0.54) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL6512092 0.86 MAPT (0.60) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL6515541 0.85 MAPT (0.59) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL6514303 0.84 MAPT (0.58) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL6511488 0.84 MAPT (0.58) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL6512366 0.84 MAPT (0.58) MAPTTP53SMN1; SMN2HTTLMNA

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-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO disclosed