SCHEMBL8228205

SCHEMBL8228205

CCCN(CCCOC(C)C)C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 16/20 0.65
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL8229487 0.88 THRB (0.68) THRBHDAC1HDAC6
SCHEMBL8229359 0.85 THRB (0.66) THRBHDAC1HDAC6
SCHEMBL8220958 0.85 THRB (0.56) THRB
SCHEMBL8228692 0.84 THRB (0.66) THRBHDAC1
SCHEMBL8228577 0.84 THRB (0.65) THRBHDAC1
SCHEMBL8227623 0.83 THRB (0.68) THRBSMN1; SMN2
SCHEMBL8226183 0.82 THRB (0.66) THRBHDAC1HDAC6
SCHEMBL8225456 0.81 THRB (0.70) THRB
SCHEMBL8228596 0.81 THRB (0.65) THRBHDAC1SMN1; SMN2HDAC6
SCHEMBL8226125 0.81 THRB (0.65) THRBHDAC1HDAC6

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