SCHEMBL18290369

SCHEMBL18290369

CC(C)C1=CC2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)C1C(=O)O2

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.56
▸ FDPS P14324 12/20 0.47
▸ GGPS1 O95749 6/20 0.46
▸ CACNA1G O43497 1/20 0.44
▸ CES1 P23141 4/20 0.33
▸ CES2 O00748 1/20 0.33
▸ HIF1A Q16665 1/20 0.30
▸ EPAS1 Q99814 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
Taxodione SCHEMBL3847860 0.72 EP300 (1.00) EP300FDPSGGPS1CACNA1GCES1
Taxodione SCHEMBL23630260 0.72 EP300 (1.00) EP300FDPSGGPS1CACNA1GCES1
SCHEMBL29574656 0.69 FDPS (0.50) EP300FDPSGGPS1
SCHEMBL18290366 0.68 EP300 (0.66) EP300FDPSGGPS1CACNA1G
SCHEMBL14882079 0.66 EP300 (0.54) EP300FDPSGGPS1CACNA1G
SCHEMBL16010952 0.66 EP300 (0.54) EP300FDPSGGPS1CACNA1G
SCHEMBL15732245 0.66 EP300 (0.46) EP300FDPSGGPS1CACNA1GHIF1A
SCHEMBL22861880 0.64 EP300 (0.64) EP300FDPSGGPS1
Rosmaquinone SCHEMBL23928700 0.63 FDPS (0.61) EP300FDPSGGPS1
Rosmaquinone SCHEMBL23928701 0.63 FDPS (0.61) EP300FDPSGGPS1

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-2016192631-A1 ABIETANE-TYPE DITERPENE COMPOUND HAVING LIPID-LOWERING ACTIVITY, METHOD FOR PREPARING SAME, AND USE OF SAME 中国科学院上海药物研究所 2016-12-08 — — WO disclosed
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