SCHEMBL8229359

SCHEMBL8229359

CCCN(CCC(=O)OCC)C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.66
LMNA P02545 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL8229487 0.89 THRB (0.68) THRBHDAC1HDAC6NPC1RAB9A
SCHEMBL8228205 0.85 THRB (0.65) THRBHDAC1HDAC6
SCHEMBL8225456 0.83 THRB (0.70) THRBLMNA
SCHEMBL5369888 0.83 THRB (0.57) THRBLMNAHDAC1HDAC6
SCHEMBL8226183 0.82 THRB (0.66) THRBHDAC1HDAC6NPC1
SCHEMBL8227623 0.82 THRB (0.68) THRBLMNA
SCHEMBL8228692 0.82 THRB (0.66) THRBHDAC1NPC1
SCHEMBL8228596 0.82 THRB (0.65) THRBHDAC1HDAC6NPC1RAB9A
SCHEMBL8226000 0.82 THRB (0.59) THRBLMNAHDAC1NPC1RAB9A
SCHEMBL8226125 0.81 THRB (0.65) THRBHDAC1HDAC6NPC1

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