SCHEMBL9027583

SCHEMBL9027583

C=C(C)COc1c(C)c(CCC=O)c2c(c1C)CC(C)(C)O2

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9027763 0.85 PSEN1 (0.30) PSEN1
SCHEMBL9028575 0.83 PSEN1 (0.35) PSEN1
SCHEMBL9027541 0.82 IMPDH2 (0.30)
SCHEMBL9027599 0.82 EZH2 (0.31)
SCHEMBL9028567 0.79
SCHEMBL9029119 0.78 MAOB (0.38) ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL9028069 0.77 ALOX5 (0.33) TSHR
SCHEMBL9028790 0.76
SCHEMBL9028779 0.76
SCHEMBL9028645 0.74

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