SCHEMBL9028016

SCHEMBL9028016

C=CCc1c(C)cc(C(C)C)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.43
TRPA1 O75762 1/20 0.43
CACNA1C Q13936 1/20 0.43
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
TYR P14679 1/20 0.35
XDH P47989 2/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
APP P05067 1/20 0.34
MAOB P27338 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL3600818 0.78 GAA (0.42) PTGS1GABRA1GABRB2XDHKDM4E
SCHEMBL9908791 0.76 PTGS1 (0.45) PTGS1TRPA1CACNA1CGABRA1GABRB2
SCHEMBL9029561 0.76 PTGS1 (0.43) PTGS1TRPA1CACNA1CGABRA1GABRB2
SCHEMBL1153449 0.75 XDH (0.36) PTGS1GABRA1GABRB2XDHKDM4E
SCHEMBL9028340 0.72 LMNA (0.43) PTGS1TRPA1GABRA1GABRB2ADRA1A
SCHEMBL28938963 0.71 CYP3A4 (0.41) PTGS1GABRA1GABRB2ADRA1AXDH
SCHEMBL29115719 0.71 PTPN1 (0.47) PTGS1TRPA1GABRA1GABRB2XDH
SCHEMBL9028025 0.71 HTT (0.49) PTGS1TRPA1GABRA1GABRB2XDH
SCHEMBL9028982 0.70 XDH (0.49) PTGS1TRPA1CACNA1CGABRA1GABRB2
SCHEMBL11219745 0.69 GAA (0.39) PTGS1GABRA1GABRB2XDHKDM4E

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