SCHEMBL8228486

SCHEMBL8228486

COc1cc(C(=O)N(CC2CCOC2)C2CCCC2)cc2nc(NC(C)c3cccc(Cl)c3)oc12

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.58
F2 P00734 8/20 0.48

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
SCHEMBL8225997 0.80 THRB (0.59) THRB
SCHEMBL5364323 0.74 THRB (1.00) THRB
SCHEMBL8226035 0.73 THRB (0.61) THRB
SCHEMBL5364128 0.73 THRB (0.59) THRB
SCHEMBL8226055 0.72 THRB (0.65) THRB
SCHEMBL8228589 0.71 THRB (0.75) THRB
SCHEMBL8227616 0.70 THRB (0.73) THRB
SCHEMBL16402867 0.68 F2 (0.71) THRBF2
SCHEMBL17746810 0.68 F2 (0.71) THRBF2
SCHEMBL8225984 0.68 THRB (0.69) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007140982-A1 SUBSTITUTED BENZOXAZOLES BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed