SCHEMBL13920847

SCHEMBL13920847

COc1c(C(C)=O)c(OCOc2c(C(C)=O)c(OC)c3ccoc3c2OC)c(OC)c2occc12

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 12/20 0.82

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
SCHEMBL12132140 0.94 KCNA3 (0.76) KCNA3
SCHEMBL12132141 0.90 KCNA3 (0.80) KCNA3
SCHEMBL4482527 0.90 KCNA3 (1.00) KCNA3
SCHEMBL10632689 0.90 KCNA3 (0.80) KCNA3
SCHEMBL10821323 0.90 KCNA3 (0.78) KCNA3
SCHEMBL4495556 0.89 KCNA3 (1.00) KCNA3
SCHEMBL4471891 0.89 KCNA3 (1.00) KCNA3
SCHEMBL13920862 0.88 KCNA3 (1.00) KCNA3
SCHEMBL13920855 0.88 KCNA3 (1.00) KCNA3
SCHEMBL3601227 0.87 KCNA3 (0.83) KCNA3

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
US-7507839-B2 Therapeutic ion channel blocking agents and methods of use thereof THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-03-24 US disclosed
US-7507839-B2 Therapeutic ion channel blocking agents and methods of use thereof THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-03-24 US disclosed