SCHEMBL9029047

SCHEMBL9029047

CC(C)c1c(CCCO)c2c(c(C(C)C)c1OCc1ccccc1)CC(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
MAOB P27338 1/20 0.35
RRM1 P23921 1/20 0.35
GLRA1 P23415 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
PTGER1 P34995 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
GAA P10253 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL9028660 0.85 MAOB (0.36) MAOBGLRA1NPC1RAB9ALMNA
SCHEMBL9028097 0.83 MAOB (0.36) MAOBGLRA1NPC1RAB9ALMNA
SCHEMBL9028462 0.83 LTA4H (0.40) LTA4HEPHX2MAOBRRM1NPC1
SCHEMBL9029045 0.81 NPC1 (0.39) LTA4HEPHX2MAOBRRM1NPC1
SCHEMBL9029056 0.80 LTA4H (0.38) LTA4HEPHX2MAOBRRM1NPC1
SCHEMBL9029111 0.80 LTA4H (0.38) LTA4HEPHX2MAOBRRM1NPC1
SCHEMBL9028553 0.79 MAOB (0.33) MAOBNPC1RAB9A
SCHEMBL9028797 0.79 MAOB (0.35) MAOBGLRA1NPC1RAB9ALMNA
SCHEMBL9027237 0.79 MAOB (0.33) MAOBNPC1RAB9A
SCHEMBL9028211 0.79 MAOB (0.35) MAOBGLRA1NPC1RAB9ALMNA

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