SCHEMBL9303654

SCHEMBL9303654

CC(C)=CCCC1(C)CC(=O)c2cc(O)c(C)c(C)c2O1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.65
ALOX5 P09917 11/20 0.45
PTGES O14684 1/20 0.40
CYP1A1 P04798 1/20 0.39
PTGS1 P23219 1/20 0.37
PDPK1 O15530 1/20 0.37
PHLPP1 O60346 1/20 0.37
ILK Q13418 1/20 0.37
APP P05067 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL12713589 0.94 AKT1 (0.58) AKT1ALOX5PTGESAPP
SCHEMBL13009216 0.82 ALOX5 (0.45) AKT1ALOX5PTGES
SCHEMBL9302854 0.80 AKT1 (0.43) AKT1ALOX5PTGESCYP1A1PTGS1
SCHEMBL15441596 0.79 AKT1 (1.00) AKT1CYP1A1PDPK1PHLPP1ILK
SCHEMBL9303270 0.78 ALOX5 (0.42) AKT1ALOX5APP
SCHEMBL12368109 0.76 ALOX5 (0.71) AKT1ALOX5PTGESPDPK1PHLPP1
SCHEMBL17523133 0.76 ALOX5 (0.71) AKT1ALOX5PTGESPDPK1PHLPP1
SCHEMBL16346022 0.75 AKT1 (0.91) AKT1PDPK1PHLPP1ILK
SCHEMBL5268822 0.75 AKT1 (0.59) AKT1PDPK1PHLPP1ILK
SCHEMBL13684464 0.73 ALOX5 (0.54) ALOX5

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-5318993-A Antihyperlipidemic benzoquinones BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-07 US disclosed