SCHEMBL9028594

SCHEMBL9028594

C=C(C)Cc1c(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 2/20 0.36
BACE1 P56817 1/20 0.36
SELL P14151 1/20 0.34
SELP P16109 1/20 0.34
SELE P16581 1/20 0.34
ACHE P22303 1/20 0.34
SRC P12931 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 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
SCHEMBL9028451 0.78 SELL (0.39) LMNATRPA1PTPN1BACE1SELL
SCHEMBL9027854 0.78 CA1 (0.38) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL9028340 0.76 LMNA (0.43) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL9027251 0.74 GABRA1 (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL9029561 0.72 PTGS1 (0.43) LMNATRPA1ADRA1AGABRA1GABRB2
SCHEMBL9028606 0.71 HTT (0.41) LMNAPTPN1BACE1SELLSELP
SCHEMBL9028198 0.71 BCL2 (0.36) LMNATRPA1NPC1HPGDMAPK1
SCHEMBL9571334 0.69 MAOB (0.35) CA1CA2
SCHEMBL9571652 0.69 MAOB (0.33) CA1CA2
SCHEMBL4623974 0.69 LMNA (0.56) LMNATRPA1CHRM1SLC6A2ADRA1A

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