SCHEMBL8220856

SCHEMBL8220856

CN(C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 13/20 0.62
HSD11B1 P28845 2/20 0.51
HSD11B2 P80365 1/20 0.51
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
HDAC1 Q13547 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL8219823 0.99 THRB (0.63) THRBHSD11B1HSD11B2TP53LMNA
SCHEMBL8225963 0.88 THRB (0.58) THRBHSD11B1HDAC1
SCHEMBL8228481 0.88 THRB (0.58) THRBHSD11B1HDAC1
SCHEMBL8225187 0.87 THRB (0.59) THRBHSD11B1HDAC1
SCHEMBL8220860 0.87 THRB (0.59) THRBHDAC1
SCHEMBL8228557 0.86 THRB (0.58) THRBHDAC1
SCHEMBL8225995 0.86 THRB (0.62) THRBHSD11B1HDAC1
SCHEMBL8228464 0.86 THRB (0.71) THRBHDAC1
SCHEMBL5364060 0.86 THRB (0.60) THRBHSD11B1HDAC1
SCHEMBL8227347 0.86 THRB (0.58) 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 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