SCHEMBL9028221

SCHEMBL9028221

C=CCc1c2c(cc(O)c1C(C)C)CC(C)(C)O2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.33
HTR2A P28223 1/20 0.32
DHFR P00374 1/20 0.31
OSBP P22059 1/20 0.30
POLB P06746 1/20 0.30
AKT1 P31749 2/20 0.30
PDPK1 O15530 1/20 0.30
PHLPP1 O60346 1/20 0.30
ILK Q13418 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
SCHEMBL9028612 0.79 HTR2A (0.34) HTR2AOSBPPOLB
SCHEMBL9028225 0.79 DHFR (0.38) HTR2ADHFROSBPPOLB
SCHEMBL9722345 0.77 POLB (0.33) POLB
SCHEMBL9027394 0.76 CYP26A1 (0.36)
SCHEMBL9028319 0.76
SCHEMBL9028068 0.75 MAOB (0.38)
SCHEMBL9571516 0.69 EZH2 (0.31) POLB
SCHEMBL9571543 0.67 LMNA (0.32) HTR2APOLB
SCHEMBL9571427 0.67 ALDH1A1 (0.31) POLB
SCHEMBL14283919 0.66 AKT1 (0.46) HTR2ADHFRAKT1PDPK1PHLPP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445827-B1 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO KK (JP) 1996-09-25 EP disclosed
US-5149834-A Anticholesterol agent and enzyme inhibitors, for curing arteriosclerosis FUJIREBIO INC. (JP) 1992-09-22 US disclosed
EP-0445827-A2 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO INC. (JP) 1991-09-11 EP disclosed