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Sugi Predict / Compounds / SCHEMBL7208159

SCHEMBL7208159

SCHEMBL7208159

Nc1cc(Cl)c(Oc2ccc(O)c(S(=O)(=O)NC3CC3)c2)c(Cl)c1.Nc1cc(Cl)c(Oc2ccc(O)c(S(=O)(=O)NC3CC3)c2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 11/20 0.57
▸ THRA P10827 5/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ BRD3 Q15059 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.37
▸ PGR P06401 1/20 0.35

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
SCHEMBL4964380 1.00 THRB (0.57) THRBTHRABRD4BRD2BRD3
SCHEMBL6269972 0.95 THRB (0.62) THRBTHRABRD4BRD2BRD3
SCHEMBL7040382 0.92 THRB (0.53) THRBTHRABRD4BRD2BRD3
SCHEMBL4963113 0.84 L3MBTL1 (0.56) BRD4BRD2BRD3L3MBTL1ALDH1A1
SCHEMBL1640779 0.81 THRB (0.63) THRBTHRA
SCHEMBL26410336 0.81 THRB (0.50) THRBTHRA
SCHEMBL6273747 0.81 THRB (0.59) THRBTHRABRD4BRD2BRD3
SCHEMBL4962529 0.80 THRB (0.54) THRBTHRA
SCHEMBL7037537 0.80 THRB (0.56) THRBBRD4BRD2BRD3
SCHEMBL4965331 0.79 THRB (0.55) THRBTHRANR1H4

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-1268404-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2003-01-02 — — EP disclosed
WO-2001072692-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2001-10-04 — — WO disclosed