SCHEMBL18290299

SCHEMBL18290299

CC(C)c1cc(C=O)c([C@@]2(C)CCCC(C)(C)C2C=O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 1/20 0.48
▸ SOD1 P00441 1/20 0.42
▸ POLA1 P09884 2/20 0.39
▸ PIK3CA P42336 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ CYP19A1 P11511 2/20 0.35
▸ USP2 O75604 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ FDPS P14324 4/20 0.34
▸ PTGES O14684 2/20 0.34
▸ PNLIP P16233 2/20 0.34
▸ GGPS1 O95749 1/20 0.33
▸ BCL9 O00512 3/20 0.33

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
SCHEMBL17388698 1.00 KARS1 (0.48) KARS1SOD1POLA1PIK3CAPIK3CG
SCHEMBL16006712 1.00 KARS1 (0.48) KARS1SOD1POLA1PIK3CAPIK3CG
SCHEMBL18290217 0.84 KARS1 (0.47) KARS1SOD1POLA1PIK3CAPIK3CG
SCHEMBL18290297 0.84 KARS1 (0.47) KARS1SOD1POLA1PIK3CAPIK3CG
SCHEMBL18290305 0.84 KARS1 (0.47) KARS1SOD1POLA1MEN1KMT2A
SCHEMBL18290304 0.73 KARS1 (0.42) KARS1SOD1POLA1CYP3A4MAPT
Rosmadial SCHEMBL13294494 0.70 FDPS (0.60) MEN1KMT2ACYP3A4MAPTUSP2
Hypargenin C SCHEMBL18290364 0.68 SOD1 (0.55) KARS1SOD1MEN1KMT2ACYP3A4
Hypargenin C SCHEMBL31083234 0.68 SOD1 (0.55) KARS1SOD1MEN1KMT2ACYP3A4
Sugiol SCHEMBL17407685 0.68 SOD1 (0.58) KARS1SOD1MEN1KMT2ACYP3A4

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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