SCHEMBL9028395

SCHEMBL9028395

Cc1c(C=O)c2c(c(C(C)C)c1OCc1ccccc1)CC(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
GLRA1 P23415 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN1 P18031 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL9028175 0.92 MAOB (0.38) MAOBGLRA1LMNAGAASMN1; SMN2
SCHEMBL9027439 0.88 MAOB (0.41) MAOBLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL9722383 0.85 MAOB (0.33) MAOBLMNAGAA
SCHEMBL9028797 0.84 MAOB (0.35) MAOBGLRA1LMNAGAASMN1; SMN2
SCHEMBL9028968 0.84 MAOB (0.37) MAOBGLRA1LMNAGAASMN1; SMN2
SCHEMBL9028233 0.81 LMNA (0.36) MAOBLMNAGAASMN1; SMN2NPC1
SCHEMBL9028211 0.80 MAOB (0.35) MAOBGLRA1LMNAGAASMN1; SMN2
SCHEMBL8855046 0.80 AR (0.36) MAOBGLRA1SMN1; SMN2NPC1RAB9A
SCHEMBL9028467 0.80 MAOB (0.37) MAOBGLRA1LMNAGAASMN1; SMN2
SCHEMBL9028660 0.80 MAOB (0.36) MAOBGLRA1LMNAGAAALDH1A1

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