SCHEMBL9028340

SCHEMBL9028340

C=CCc1c(O)cc(C)cc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
TRPA1 O75762 1/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
PTPN1 P18031 1/20 0.40
BACE1 P56817 1/20 0.40
XDH P47989 2/20 0.35
SELL P14151 1/20 0.34
SELP P16109 1/20 0.34
SELE P16581 1/20 0.34
ACHE P22303 1/20 0.34
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH2 P05091 1/20 0.33

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
SCHEMBL29115719 0.83 PTPN1 (0.47) TRPA1PTPN1BACE1XDHSELL
SCHEMBL3600818 0.78 GAA (0.42) LMNAPTPN1BACE1XDHSELL
SCHEMBL9804429 0.78 CA1 (0.35) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL9028594 0.76 LMNA (0.43) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL9027572 0.74 GABRA1 (0.50) LMNASLC6A2HTR2BXDHACHE
SCHEMBL9028016 0.72 PTGS1 (0.43) TRPA1ADRA1AXDHACHEGABRA1
Thymol SCHEMBL27513437 0.72 LMNA (0.55) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL9028351 0.71 CYP19A1 (0.41) PTPN1BACE1XDHSELLSELP
SCHEMBL16221634 0.71 PTPN1 (0.36) LMNAPTPN1BACE1XDHSELL
SCHEMBL22014427 0.71 GCGR (0.32) GABRA1

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