SCHEMBL9027237

SCHEMBL9027237

Cc1c2c(c(CCC#N)c(C(C)C)c1OCc1ccccc1)OC(C)(C)C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.33
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
GUSB P08236 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
SCHEMBL9028553 0.92 MAOB (0.33) MAOBATP4AATP4BNPC1RAB9A
SCHEMBL9027245 0.85 MAOB (0.34) MAOBATP4AATP4BNPC1RAB9A
SCHEMBL9028211 0.85 MAOB (0.35) MAOBNPC1RAB9A
SCHEMBL9028554 0.82 MAOB (0.34) MAOBATP4AATP4BNPC1RAB9A
SCHEMBL9028467 0.81 MAOB (0.37) MAOBNPC1RAB9A
SCHEMBL9028486 0.80 MAOB (0.33) MAOB
SCHEMBL9029047 0.79 LTA4H (0.38) MAOBNPC1RAB9A
SCHEMBL9029436 0.79 MAOB (0.32) MAOB
SCHEMBL9029450 0.79 MAOB (0.32) MAOB
SCHEMBL9028175 0.78 MAOB (0.38) MAOBNPC1RAB9A

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