SCHEMBL9028462

SCHEMBL9028462

Cc1c(CCCO)c2c(c(C)c1OCc1ccccc1)CC(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
EPHX2 P34913 1/20 0.40
MAOB P27338 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
PTPN1 P18031 1/20 0.33
HPD P32754 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RRM1 P23921 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 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
SCHEMBL9029111 0.89 LTA4H (0.38) LTA4HEPHX2MAOBNPC1RAB9A
SCHEMBL9028949 0.89 LTA4H (0.37) LTA4HEPHX2MAOBNPC1RAB9A
SCHEMBL9029119 0.85 MAOB (0.38) MAOBNPC1RAB9APTPN1HPD
SCHEMBL9029056 0.84 LTA4H (0.38) LTA4HEPHX2MAOBNPC1RAB9A
SCHEMBL9029180 0.83 MAOB (0.38) MAOBNPC1RAB9APTPN1HPD
SCHEMBL9029047 0.83 LTA4H (0.38) LTA4HEPHX2MAOBNPC1RAB9A
SCHEMBL9027197 0.80 PSEN1 (0.38) PSEN1
SCHEMBL5958264 0.80 MAOB (0.41) MAOBNPC1RAB9APTGER1PTPN1
SCHEMBL9026479 0.78
SCHEMBL9026475 0.78

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