SCHEMBL10998626

SCHEMBL10998626

COc1c(O)c(C(C)=O)c(OC)c(OCc2ccccc2)c1OC

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNA2 P16389 3/20 0.61
KCNA5 P22460 3/20 0.61
KCNA1 Q09470 3/20 0.61
KCNA3 P22001 1/20 0.56
KCNA4 P22459 2/20 0.52
KCNH2 Q12809 2/20 0.52

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
SCHEMBL7795939 0.79 KCNA3 (0.56) KCNA2KCNA5KCNA1KCNA3
SCHEMBL7796134 0.79 KCNA3 (0.56) KCNA2KCNA5KCNA1KCNA3
SCHEMBL30375567 0.79 MAOB (0.50) KCNA3
SCHEMBL16246347 0.79 MAOB (0.50) KCNA3
SCHEMBL8052928 0.78 MAPT (0.50) KCNA2KCNA5KCNA1KCNA3
SCHEMBL21217354 0.77 PDE4A (0.57) KCNA3
SCHEMBL678486 0.77 KCNA3 (0.53) KCNA2KCNA5KCNA1KCNA3KCNA4
SCHEMBL27389746 0.75 MAPT (0.53) KCNA3
SCHEMBL16060697 0.75 MGAM (0.50) KCNA2KCNA5KCNA1KCNA3
SCHEMBL29929467 0.75 KCNA3 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4532254-A Inhibitor of aldose reductase KAKEN PHARMACEUTICAL CO., LTD. (JP) 1985-07-30 US disclosed