SCHEMBL4064874

SCHEMBL4064874

CC(C)c1cc(-c2ocnc2-c2ccc(F)cc2)c(O)cc1O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.48
HSP90AA1 P07900 4/20 0.44
HSP90AB1 P08238 2/20 0.44
NR3C2 P08235 1/20 0.42

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
SCHEMBL4062363 0.90 MAPK14 (0.48) MAPK14HSP90AA1HSP90AB1
SCHEMBL4396093 0.87 HSP90AA1 (0.58) MAPK14HSP90AA1HSP90AB1
SCHEMBL4057821 0.85 HSP90AA1 (0.43) HSP90AA1HSP90AB1
SCHEMBL4071820 0.79 P2RX3 (0.49) MAPK14
SCHEMBL28701261 0.79 MAPK14 (0.49) MAPK14HSP90AA1HSP90AB1
SCHEMBL28934605 0.79 HSP90AA1 (0.45) MAPK14HSP90AA1HSP90AB1
SCHEMBL28701252 0.79 HSP90AA1 (0.45) MAPK14HSP90AA1HSP90AB1
SCHEMBL28701259 0.78 HSP90AA1 (0.44) MAPK14HSP90AA1HSP90AB1
SCHEMBL4065970 0.77 HSP90AA1 (0.54) HSP90AA1HSP90AB1
SCHEMBL28702727 0.77 MAPK14 (0.46) MAPK14HSP90AA1HSP90AB1

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