SCHEMBL11539375

SCHEMBL11539375

Cc1c(O)cc2c(c1C)OC(C)(CO)CC2C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.39
PDPK1 O15530 1/20 0.39
PHLPP1 O60346 1/20 0.39
ILK Q13418 1/20 0.39
ALOX5 P09917 4/20 0.35

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
SCHEMBL11539376 1.00 AKT1 (0.39) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL23191967 0.71 AKT1 (0.66) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL15042781 0.71 AKT1 (0.66) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL6027769 0.71 AKT1 (0.66) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL5267755 0.70 AKT1 (0.34) AKT1PDPK1PHLPP1ILK
SCHEMBL11446961 0.68
SCHEMBL4467672 0.66 AKT1 (0.36) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL5769073 0.65 AKT1 (0.33) AKT1PDPK1PHLPP1ILK
SCHEMBL5266783 0.64 AKT1 (0.33) AKT1PDPK1PHLPP1ILK
SCHEMBL5266292 0.64 AKT1 (0.33) AKT1PDPK1PHLPP1ILK

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-4153614-A Synthesis of (S)-(+)-6-hydroxy-2,5,7,8-tetramethylchroman-2-methanol and intermediates therein HOFFMANN-LA ROCHE INC. (US) 1979-05-08 US disclosed