SCHEMBL9028981

SCHEMBL9028981

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
HPD P32754 1/20 0.34
MAOB P27338 1/20 0.33
HPGD P15428 1/20 0.33
NFE2L2 Q16236 1/20 0.33
PTPN1 P18031 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
ALOX5 P09917 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
SCHEMBL9029119 0.91 MAOB (0.38) LMNAGAAHPDMAOBHPGD
SCHEMBL9849072 0.85 PTGER4 (0.43) PSEN1
SCHEMBL9028284 0.83 MAOB (0.34) PSEN1LMNAGAAHPDMAOB
SCHEMBL9028802 0.83 MAOB (0.36) LMNAGAAHPDMAOBPTPN1
SCHEMBL9028233 0.83 LMNA (0.36) PSEN1LMNAGAAHPDMAOB
SCHEMBL9027608 0.82 MAOB (0.35) LMNAGAAHPDMAOB
SCHEMBL9028797 0.82 MAOB (0.35) LMNAGAAHPDMAOBHPGD
SCHEMBL8308667 0.82 PSEN1 (0.45) PSEN1LMNAGAAHPDMAOB
SCHEMBL9028219 0.81 MAOB (0.36) LMNAGAAHPDMAOBPTPN1
SCHEMBL9026986 0.81 MAOB (0.36) LMNAGAAHPDMAOBPTPN1

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 2 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