SCHEMBL9027839

SCHEMBL9027839

C=CCc1c(C)c(O)c(C)c2c1OC(C)(C)C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
EZH2 Q15910 1/20 0.31

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
SCHEMBL9027783 0.87 CYP3A4 (0.42) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9027208 0.85
SCHEMBL9027759 0.85
SCHEMBL9028082 0.79 NR1I2 (0.33) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9028069 0.78 ALOX5 (0.33) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL6982911 0.77 CYP3A4 (0.50) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9028328 0.75 DHFR (0.33)
SCHEMBL9028319 0.75
SCHEMBL9571597 0.74 ALDH1A1 (0.34) CYP1A2CYP3A4EZH2
SCHEMBL7530465 0.72 CYP3A4 (0.42) PTGS1PTGS2CYP1A2CYP3A4TSHR

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