SCHEMBL8966744

SCHEMBL8966744

CC(CO)C1CCNCC1O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 9/20 0.37
MAN1B1 Q9UKM7 1/20 0.32
GAA P10253 2/20 0.31
PYGL P06737 1/20 0.31
GBA2 Q9HCG7 1/20 0.31
GLB1 P16278 1/20 0.31
KCNH2 Q12809 1/20 0.31
FUCA1 P04066 1/20 0.30
GLA P06280 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
SCHEMBL8967204 0.81 KCNH2 (0.31) KCNH2
SCHEMBL24793469 0.79 TRPA1 (0.43) GBA1MAN1B1GAAGLB1FUCA1
SCHEMBL9900271 0.79 TRPA1 (0.43) GBA1MAN1B1GAAGLB1FUCA1
SCHEMBL17311156 0.74
SCHEMBL17311067 0.74
SCHEMBL2095890 0.74
SCHEMBL27604734 0.72 SLC6A1 (0.36) GBA1MAN1B1
SCHEMBL121101 0.69 CPN1 (0.39)
SCHEMBL10206052 0.69 CPN1 (0.39)
SCHEMBL4755135 0.68 GBA1 (0.35) GBA1MAN1B1GAAPYGLGBA2

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-0468434-B1 Novel piperidyl ethers and thioethers as inhibitors of cholesterol biosynthesis MERRELL DOW PHARMA (US) 1996-02-28 EP disclosed
US-5348964-A Anticholesterol agents or fungicides MERRELL DOW PHARMACEUTICALS INC. (US) 1994-09-20 US disclosed
EP-0468434-A1 Novel piperidyl ethers and thioethers as inhibitors of cholesterol biosynthesis MERRELL PHARMACEUTICALS INC. (US) 1992-01-29 EP disclosed