SCHEMBL8778328

SCHEMBL8778328

[c]1ccc2c(c1)OC(c1ccc3c(c1)OCCC3)=CC2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL910334 0.75 CLK1 (0.33) NOTUM
SCHEMBL3695751 0.72
SCHEMBL27032744 0.70 CA1 (0.31)
SCHEMBL3350086 0.68 PRKAB2 (0.36) KCNH2NOTUM
SCHEMBL132193 0.66 CLK1 (0.36) NOTUM
SCHEMBL102103 0.65
SCHEMBL3149946 0.65 DYRK1A (0.41)
SCHEMBL28137011 0.65 KCNH2 (0.52) KCNH2NOTUM
SCHEMBL22681770 0.64 KCNH2 (0.48) KCNH2NOTUM
SCHEMBL15839864 0.64 NPC1 (0.40) KCNH2NOTUM

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-0813542-A1 AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP disclosed