SCHEMBL4573255

SCHEMBL4573255

O=C(C1CCCN1C(=O)c1cc(Cl)c(O)cc1O)N1Cc2ccccc2C1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 0.64
HSP90AB1 P08238 13/20 0.60
HSP90B1 P14625 1/20 0.50
TRAP1 Q12931 1/20 0.50
PDK1 Q15118 2/20 0.47
PDK2 Q15119 2/20 0.47
PDK3 Q15120 2/20 0.47
PDK4 Q16654 2/20 0.47

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
SCHEMBL14193524 1.00 HSP90AA1 (0.64) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
SCHEMBL14194413 0.86 HSP90AA1 (0.63) HSP90AA1HSP90AB1
SCHEMBL14194418 0.82 HSP90AA1 (0.64) HSP90AA1HSP90AB1
SCHEMBL384744 0.79 HSP90AA1 (0.82) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL14193538 0.75 HSP90AA1 (0.55) HSP90AA1HSP90AB1
SCHEMBL4573078 0.75 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL14194419 0.75 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL14194412 0.75 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL14193539 0.72 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL14193541 0.71 HSP90AA1 (0.56) HSP90AA1HSP90AB1

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-2008053319-A1 AMIDE RESORCINOL COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-05-08 WO disclosed