SCHEMBL8227616

SCHEMBL8227616

COc1cc(C(=O)N(CC2CCCC2)CC2CCOC2)cc2nc(NCc3cccc(C)c3)oc12

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
THRB P10828 20/20 0.73

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
SCHEMBL8226127 0.92 THRB (0.85) THRB
SCHEMBL5364323 0.84 THRB (1.00) THRB
SCHEMBL8228497 0.76 THRB (1.00) THRB
SCHEMBL8225997 0.75 THRB (0.59) THRB
SCHEMBL8220858 0.72 THRB (0.53) THRB
SCHEMBL8228486 0.70 THRB (0.58) THRB
SCHEMBL5368006 0.70 THRB (1.00) THRB
SCHEMBL5364128 0.69 THRB (0.59) THRB
SCHEMBL8226035 0.69 THRB (0.61) THRB
SCHEMBL8225403 0.69 THRB (0.73) 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