SCHEMBL8225964

SCHEMBL8225964

CCOC(=O)C1CC1CN(Cc1ccccc1)C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 16/20 0.58
HDAC6 Q9UBN7 1/20 0.40
HDAC1 Q13547 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL8219815 0.80 THRB (0.61) THRBHDAC6HDAC1
SCHEMBL8229359 0.79 THRB (0.66) THRBHDAC6HDAC1LMNA
SCHEMBL5369888 0.78 THRB (0.57) THRBHDAC6HDAC1LMNA
SCHEMBL8225971 0.77 THRB (0.59) THRB
SCHEMBL8226000 0.77 THRB (0.59) THRBHDAC1LMNA
SCHEMBL8219821 0.76 THRB (0.60) THRBHDAC6HDAC1
SCHEMBL8228557 0.76 THRB (0.58) THRBHDAC6HDAC1
SCHEMBL8228464 0.76 THRB (0.71) THRBHDAC6HDAC1
SCHEMBL8229487 0.76 THRB (0.68) THRBHDAC6HDAC1
SCHEMBL8226265 0.76 THRB (0.56) THRBHDAC6HDAC1

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