SCHEMBL9028554

SCHEMBL9028554

CCCc1c2c(c(CCC#N)c(C)c1OCc1ccccc1)OC(C)(C)C2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GUSB P08236 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9027245 0.92 MAOB (0.34) MAOBATP4AATP4BNPC1RAB9A
SCHEMBL9028553 0.85 MAOB (0.33) MAOBATP4AATP4BNPC1RAB9A
SCHEMBL9028802 0.84 MAOB (0.36) MAOBNPC1RAB9ALMNAGAA
SCHEMBL9028973 0.83 MAOB (0.36) MAOBNPC1RAB9AKDM4ELMNA
SCHEMBL9722385 0.82 MAOB (0.32) MAOBLMNAGAA
SCHEMBL9027237 0.82 MAOB (0.33) MAOBATP4AATP4BNPC1RAB9A
SCHEMBL9029056 0.79 LTA4H (0.38) MAOBNPC1RAB9ALMNAGAA
SCHEMBL9028475 0.79 MAOB (0.36) MAOBNPC1RAB9AKDM4ELMNA
SCHEMBL9028490 0.78 MAOB (0.32) MAOBLMNAGAA
SCHEMBL9028108 0.78 MAOB (0.36) MAOBNPC1RAB9ALMNAGAA

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