SCHEMBL8172837

SCHEMBL8172837

CC(C)=CCCC1(C)C(CC=C(C)C)CC2(CC=C(C)C)C(=O)C1(CCCC=O)C(=O)C(CC=C(C)C)=C2O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.67
SIRT1 Q96EB6 5/20 0.67
PTGES O14684 2/20 0.67
SLC6A2 P23975 2/20 0.67
SLC6A4 P31645 2/20 0.67
SLC6A3 Q01959 2/20 0.67
NR1I2 O75469 1/20 0.67
CYP3A4 P08684 1/20 0.67
DLAT P10515 1/20 0.67
MAPT P10636 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
POLL Q9UGP5 4/20 0.51
STAT1 P42224 1/20 0.51
MET P08581 6/20 0.48
ACHE P22303 5/20 0.42

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
SCHEMBL15694978 0.80 SIRT2 (1.00) SIRT2SIRT1PTGESSLC6A2SLC6A4
SCHEMBL15557965 0.80 SIRT2 (1.00) SIRT2SIRT1PTGESSLC6A2SLC6A4
SCHEMBL8168239 0.80 SIRT2 (1.00) SIRT2SIRT1PTGESSLC6A2SLC6A4
SCHEMBL14837010 0.80 SIRT2 (1.00) SIRT2SIRT1PTGESSLC6A2SLC6A4
SCHEMBL25184456 0.78 SLC6A2 (0.85) SIRT2SIRT1PTGESSLC6A2SLC6A4
SCHEMBL7871338 0.78 SIRT2 (0.85) SIRT2SIRT1PTGESSLC6A2SLC6A4
Phloroglucinol SCHEMBL30222061 0.77 SIRT2 (0.92) SIRT2SIRT1PTGESSLC6A2SLC6A4
SCHEMBL98723 0.77 SIRT2 (0.86) SIRT2SIRT1PTGESSLC6A2SLC6A4
SCHEMBL21907266 0.77 SIRT2 (0.86) SIRT2SIRT1PTGESSLC6A2SLC6A4
SCHEMBL14577497 0.77 SIRT2 (0.86) SIRT2SIRT1PTGESSLC6A2SLC6A4

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
WO-2000054785-A2 STABILIZED BICYCLO[3.3.1]NONENES AND METHODS OF USE SHAMAN PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed
WO-2000054760-A2 BICYCLO (3.3.1) NONENES USEFUL FOR THE TREATMENT OF DIABETES AND HYPERTRIGLYCERIDEMIA SHAMAN PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed