SCHEMBL9028187

SCHEMBL9028187

Cc1c(O)c(C(C)C)cc2c1CC(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GABRA1 P14867 5/20 0.34
GABRB1 P18505 4/20 0.34
GABRB2 P47870 3/20 0.34
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRA6 Q16445 1/20 0.31
GSR P00390 1/20 0.30
GLRA1 P23415 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
SCHEMBL6764099 0.84 CA1 (0.36) CA1CA2ALDH1A1MAPTKDM4E
SCHEMBL6767062 0.81 CA1 (0.33) CA1CA2ALDH1A1MAPTKDM4E
SCHEMBL6130778 0.80 ALDH1A1 (0.38) CA1CA2ALDH1A1MAPTKDM4E
SCHEMBL9028993 0.75 ALDH1A1 (0.35) ALDH1A1MAPTKDM4E
SCHEMBL6769049 0.75 SMN1; SMN2 (0.39) CA1CA2ALDH1A1MAPTKDM4E
SCHEMBL4473157 0.74 FDPS (0.34) CA1CA2ALDH1A1MAPTKDM4E
SCHEMBL5268555 0.74 MEN1 (0.41) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL9028190 0.73 MAOA (0.36) ALDH1A1MAPTKDM4E
SCHEMBL8633979 0.71 ALDH1A1 (0.34) ALDH1A1MAPTKDM4E
SCHEMBL6768799 0.69 SMN1; SMN2 (0.34) CA1CA2ALDH1A1MAPTKDM4E

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