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SCHEMBL5324972

SCHEMBL5324972

O=C1CN(c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)NC4CCCCC4)c3)c(Cl)c2)C(=O)N1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 15/20 0.66
▸ THRA P10827 2/20 0.40
▸ BRD4 O60885 1/20 0.38
▸ BRD2 P25440 1/20 0.38
▸ BRD3 Q15059 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GUSB P08236 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
SCHEMBL5326354 0.88 THRB (0.51) THRBBRD4BRD3ALDH1A1L3MBTL1
SCHEMBL5330145 0.85 THRB (0.47) THRBTHRA
SCHEMBL5327964 0.84 THRB (0.47) THRBTHRA
SCHEMBL5331464 0.83 THRB (0.62) THRBTHRAALDH1A1L3MBTL1
SCHEMBL5324532 0.81 THRB (0.65) THRBTHRAALDH1A1
SCHEMBL6269972 0.80 THRB (0.62) THRBTHRABRD4BRD2BRD3
SCHEMBL5326045 0.79 THRB (0.44) THRBTHRA
SCHEMBL1640585 0.79 THRB (1.00) THRBTHRA
SCHEMBL5325777 0.78 THRB (0.43) THRBTHRA
SCHEMBL4964380 0.77 THRB (0.57) THRBTHRABRD4BRD2BRD3

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