SCHEMBL5363388

SCHEMBL5363388

CCC(O)CN(C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1)C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 18/20 0.58
HDAC1 Q13547 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL8227347 0.92 THRB (0.58) THRBHDAC1
SCHEMBL8228481 0.91 THRB (0.58) THRBHDAC1HSD11B1
SCHEMBL5364060 0.87 THRB (0.60) THRBHDAC1HSD11B1
SCHEMBL8225187 0.87 THRB (0.59) THRBHDAC1HSD11B1
SCHEMBL8228557 0.86 THRB (0.58) THRBHDAC1
SCHEMBL8225995 0.86 THRB (0.62) THRBHDAC1HSD11B1
SCHEMBL8228162 0.85 THRB (0.57) THRBHDAC1HSD11B1
SCHEMBL8229485 0.85 THRB (0.60) THRBHSD11B1
SCHEMBL8219823 0.85 THRB (0.63) THRBHDAC1HSD11B1
SCHEMBL8220860 0.85 THRB (0.59) THRBHDAC1

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