SCHEMBL9028277

SCHEMBL9028277

C=C(C)COc1cc(C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 4/20 0.47
CYP1A2 P05177 2/20 0.47
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
TYR P14679 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GALR3 O60755 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSPA5 P11021 1/20 0.37
MAPT P10636 3/20 0.36
ALOX15 P16050 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
HPN P05981 1/20 0.36

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
SCHEMBL10951644 0.80 CYP2C9 (0.53) CYP2C9CYP2C19CYP1A2CA2CA1
SCHEMBL9028534 0.79 HSD17B10 (0.37) ALDH1A1HTTL3MBTL1MAPTHSD17B10
SCHEMBL25260431 0.78 CYP2C9 (0.50) CYP2C9CYP2C19CYP1A2CA2CA1
SCHEMBL8877323 0.76 HPGD (0.46) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL10954074 0.74 CA2 (0.77) CYP2C9CYP2C19CYP1A2CA2CA1
SCHEMBL7525731 0.74 VCAM1 (0.39) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL28027411 0.73 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL9028293 0.72 CYP2C9 (0.52) CYP2C9CYP2C19CYP1A2CA2CA1
SCHEMBL5706719 0.72 CYP1A2 (0.52) CYP2C9CYP2C19CYP1A2CA2CA1
SCHEMBL11170010 0.70 CYP2C9 (0.53) CYP2C9CYP2C19CYP1A2CA2CA1

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