SCHEMBL8746281

SCHEMBL8746281

Cc1c(O)cc2c(c1C)OC(C)(CC[S+](C)C)CC2

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.66
PDPK1 O15530 3/20 0.66
PHLPP1 O60346 3/20 0.66
ILK Q13418 3/20 0.66
ALOX5 P09917 4/20 0.55
PTGES O14684 1/20 0.47
LMNA P02545 1/20 0.41
NR1I2 O75469 1/20 0.41
BCHE P06276 1/20 0.40

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
SCHEMBL8950713 0.86 AKT1 (0.52) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL5771546 0.85 AKT1 (0.70) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL14580950 0.85 AKT1 (0.70) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL18212526 0.85 AKT1 (0.70) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL5771699 0.84 AKT1 (0.69) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL23191967 0.82 AKT1 (0.66) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL15042781 0.82 AKT1 (0.66) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL6027769 0.82 AKT1 (0.66) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL5773613 0.82 AKT1 (0.73) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL8747826 0.82 AKT1 (0.66) AKT1PDPK1PHLPP1ILKALOX5

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-0550337-B1 Tissue protective tocopherol analogs MERRELL PHARMA INC (US) 1997-02-12 EP disclosed