SCHEMBL4396093

SCHEMBL4396093

CC(C)c1cc(-c2ocnc2-c2ccccc2)c(O)cc1O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.58
MAPK14 Q16539 5/20 0.45
HSP90AB1 P08238 10/20 0.42
HSP90B1 P14625 1/20 0.37
TRAP1 Q12931 1/20 0.37
CARM1 Q86X55 1/20 0.36

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
SCHEMBL4377799 0.89 HSP90AA1 (0.58) HSP90AA1MAPK14HSP90AB1HSP90B1TRAP1
SCHEMBL4064874 0.87 MAPK14 (0.48) HSP90AA1MAPK14HSP90AB1
SCHEMBL4057821 0.85 HSP90AA1 (0.43) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL28704100 0.84 HSP90AA1 (0.48) HSP90AA1MAPK14HSP90AB1HSP90B1TRAP1
SCHEMBL28704117 0.81 HSP90AA1 (0.48) HSP90AA1MAPK14HSP90AB1HSP90B1TRAP1
SCHEMBL13848422 0.81 HSP90AA1 (0.45) HSP90AA1MAPK14HSP90AB1HSP90B1TRAP1
SCHEMBL28701252 0.81 HSP90AA1 (0.45) HSP90AA1MAPK14HSP90AB1
SCHEMBL4392433 0.80 HSP90AA1 (0.47) HSP90AA1MAPK14HSP90AB1HSP90B1TRAP1
SCHEMBL28701261 0.79 MAPK14 (0.49) HSP90AA1MAPK14HSP90AB1
SCHEMBL4071241 0.79 HSP90AA1 (0.43) HSP90AA1HSP90AB1HSP90B1TRAP1

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-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed