SCHEMBL282687

SCHEMBL282687

O=C(O)c1cc(Cl)c(Oc2ccc(O)c(NS(=O)(=O)N3CCCCC3)c2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.50
THRA P10827 1/20 0.50
TDP1 Q9NUW8 1/20 0.41
FKBP1A P62942 4/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
CNR1 P21554 1/20 0.40
BLM P54132 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
SLC6A4 P31645 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL3148976 0.90 ALDH1A1 (0.47) THRBTHRAFKBP1AMEN1POLB
SCHEMBL282166 0.85 THRB (0.44) THRBTHRAFKBP1AMEN1POLB
SCHEMBL282424 0.84 THRB (0.44) THRBTHRAFKBP1AMEN1POLB
SCHEMBL282039 0.82 THRB (0.53) THRBTHRAFKBP1AMEN1POLB
SCHEMBL281887 0.78 THRB (0.43) THRBTHRAFKBP1AMEN1POLB
SCHEMBL6658552 0.69 THRB (0.55) THRBTHRA
SCHEMBL6660358 0.68 THRB (0.61) THRBTHRATDP1POLBKMT2A
SCHEMBL3209980 0.68 THRB (0.55) THRBTHRATDP1MEN1KMT2A
SCHEMBL282608 0.68 THRA (0.65) THRBTHRAMEN1KMT2ATSHR
SCHEMBL5618384 0.67 THRA (1.00) THRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689383-B1 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2012-10-31 EP disclosed
EP-2428516-A1 Novel phosphorus-containing thyromimetics Metabasis Therapeutics, Inc. (US) 2012-03-14 EP disclosed
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed