SCHEMBL11116745

SCHEMBL11116745

COc1c(C)c[n+]([O-])c(C)c1C.Cc1cc(C)c(C)[n+]([O-])c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL29384627 0.88 HSP90AA1 (0.36) HSP90AA1HSP90AB1
SCHEMBL4546154 0.88 HSP90AA1 (0.36) HSP90AA1HSP90AB1
SCHEMBL6026196 0.80 RAPGEF4 (0.31)
SCHEMBL29385092 0.80 RAPGEF4 (0.31)
SCHEMBL286168 0.80 RAPGEF4 (0.31)
SCHEMBL6026676 0.76
SCHEMBL10664892 0.71 ACHE (0.37) ACHE
SCHEMBL13175227 0.71
SCHEMBL192045 0.69 HSP90AA1 (0.34) HSP90AA1HSP90AB1
SCHEMBL8830029 0.69 HSP90AA1 (0.34) 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
EP-0103553-A1 Intermediates for the preparation of omeprazole Aktiebolaget Hässle (SE) 1984-03-21 EP disclosed