SCHEMBL282131

SCHEMBL282131

COc1ccc(Oc2c(Cl)cc(C(=O)O)cc2Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.59
THRB P10828 2/20 0.59
TPMT P51580 1/20 0.58
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TAS1R2 Q8TE23 1/20 0.54
KDM4E B2RXH2 1/20 0.49
NR4A2 P43354 1/20 0.46
PARP10 Q53GL7 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
PLAU P00749 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TTR P02766 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44

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
SCHEMBL283181 0.85 CA1 (0.58) THRATHRBTPMTCA1CA2
SCHEMBL282608 0.85 THRA (0.65) THRATHRBTPMTCA1CA2
SCHEMBL26936549 0.81 TUBB4A (0.58) TPMTCA1CA2KDM4ENR4A2
SCHEMBL6367348 0.80 NPBWR1 (0.58) CA1CA2TAS1R3TAS1R1TAS1R2
SCHEMBL6135835 0.80 TPMT (0.58) TPMTCA1CA2KDM4ENR4A2
SCHEMBL6535279 0.80 CA1 (0.56) CA1CA2KDM4ENR4A2PARP10
SCHEMBL1191343 0.80 TPMT (0.79) TPMTCA1CA2TAS1R3TAS1R1
SCHEMBL5619231 0.79 THRB (0.73) THRATHRB
SCHEMBL3911770 0.78 MEN1 (0.68) THRATHRBKDM4EMAPTRAB9A
SCHEMBL26936452 0.78 TTR (0.54) TPMTCA1CA2HPGDMAPT

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