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Sugi Predict / Compounds / SCHEMBL5329537

SCHEMBL5329537

SCHEMBL5329537

CCc1cc(Oc2c(Cl)cc(N3C(=O)CNC3=O)cc2Cl)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 14/20 0.43
▸ THRA P10827 10/20 0.43
▸ EPHX1 P07099 2/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL5333107 0.86 THRB (0.50) THRBTHRAMEN1KMT2A
SCHEMBL5326880 0.86 RORC (0.38) THRBMEN1POLBRECQLKMT2A
SCHEMBL5326814 0.85 THRB (0.46) THRBTHRAMEN1POLBRECQL
SCHEMBL5326041 0.83 THRB (0.57) THRBTHRA
SCHEMBL5327219 0.83 THRB (0.53) THRBTHRA
SCHEMBL5326327 0.81 THRB (0.55) THRBTHRAEPHX1EPHX2
SCHEMBL5398710 0.79 THRB (0.42) THRBTHRAMEN1POLBKMT2A
SCHEMBL5329530 0.79 THRB (0.43) THRBTHRA
SCHEMBL5330303 0.78 THRB (0.40) THRBTHRA
SCHEMBL5415373 0.77 THRB (0.43) THRBTHRAMEN1KMT2A

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
WO-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 — — WO claimed
WO-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 — — WO disclosed