SCHEMBL18290366

SCHEMBL18290366

CC(C)C1=CC2=C(C3=C4C=C(C(C)C)C(=O)C(O)=C4[C@@]4(C)CCCC(C)(C)C4C3=O)C(=O)C3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.66
▸ FDPS P14324 12/20 0.45
▸ GGPS1 O95749 6/20 0.43
▸ HSP90AA1 P07900 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SOD1 P00441 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ CACNA1G O43497 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
Taxodione SCHEMBL23630260 0.80 EP300 (1.00) EP300FDPSGGPS1HSP90AA1KDM4E
Taxodione SCHEMBL3847860 0.80 EP300 (1.00) EP300FDPSGGPS1HSP90AA1KDM4E
SCHEMBL18290373 0.71 EP300 (0.66) EP300FDPSGGPS1HSP90AA1KDM4E
SCHEMBL29929294 0.71 EP300 (0.66) EP300FDPSGGPS1HSP90AA1KDM4E
SCHEMBL22861880 0.70 EP300 (0.64) EP300FDPSGGPS1HSP90AA1KDM4E
SCHEMBL18290369 0.68 EP300 (0.56) EP300FDPSGGPS1CACNA1G
SCHEMBL18290370 0.67 EP300 (0.51) EP300FDPSGGPS1MEN1USP2
Hypargenin C SCHEMBL13532268 0.63 SOD1 (0.55) EP300FDPSGGPS1HSP90AA1KDM4E
Hypargenin C SCHEMBL18290364 0.63 SOD1 (0.55) EP300FDPSGGPS1HSP90AA1KDM4E
Hypargenin C SCHEMBL31083234 0.63 SOD1 (0.55) EP300FDPSGGPS1HSP90AA1KDM4E

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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