SCHEMBL8215247

SCHEMBL8215247

COC1=C(C(=O)c2ccccc2)C(=O)C2(CC=C(C)C)C(=O)C1(CC=C(C)C)CC(CC=C(C)C)C2(C)C

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.68
EP300 Q09472 8/20 0.52
HDAC11 Q96DB2 2/20 0.49
POLL Q9UGP5 3/20 0.46
PTGES O14684 1/20 0.45
KAT2B Q92831 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
CYP3A4 P08684 2/20 0.44
STAT1 P42224 1/20 0.42
MET P08581 5/20 0.41
CYP2C19 P33261 1/20 0.41
SIRT2 Q8IXJ6 3/20 0.39

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
Clusianone SCHEMBL30120542 0.88 SIRT1 (0.56) SIRT1EP300HDAC11POLLPTGES
Clusianone SCHEMBL8206884 0.88 SIRT1 (0.56) SIRT1EP300HDAC11POLLPTGES
SCHEMBL31171805 0.84 SIRT1 (0.61) SIRT1EP300HDAC11POLLPTGES
SCHEMBL16435085 0.79 POLL (0.65) SIRT1EP300HDAC11POLLPTGES
SCHEMBL31345799 0.78 EP300 (0.79) SIRT1EP300HDAC11POLLPTGES
SCHEMBL14524556 0.78 SIRT1 (0.52) SIRT1EP300HDAC11POLLPTGES
Hyperibone L SCHEMBL31345837 0.77 SIRT1 (0.54) SIRT1EP300HDAC11POLLPTGES
Aristophenone A SCHEMBL31345818 0.76 EP300 (0.69) SIRT1EP300HDAC11POLLPTGES
SCHEMBL14524544 0.76 POLL (0.49) SIRT1EP300HDAC11POLLPTGES
SCHEMBL14524558 0.76 SIRT1 (0.51) SIRT1EP300HDAC11POLLPTGES

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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