SCHEMBL18290217

SCHEMBL18290217

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 1/20 0.47
▸ POLA1 P09884 4/20 0.42
▸ SOD1 P00441 1/20 0.41
▸ CYP3A4 P08684 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ BCL9 O00512 3/20 0.36
▸ CTNNB1 P35222 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ USP2 O75604 3/20 0.36
▸ TP53 P04637 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ FDPS P14324 2/20 0.36
▸ PTGES O14684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PNLIP P16233 1/20 0.36
▸ ALOX12 P18054 1/20 0.36

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
SCHEMBL18290297 1.00 KARS1 (0.47) KARS1POLA1SOD1CYP3A4MAPT
SCHEMBL18290299 0.84 KARS1 (0.48) KARS1POLA1SOD1CYP3A4MAPT
SCHEMBL16006712 0.84 KARS1 (0.48) KARS1POLA1SOD1CYP3A4MAPT
SCHEMBL17388698 0.84 KARS1 (0.48) KARS1POLA1SOD1CYP3A4MAPT
SCHEMBL18290305 0.73 KARS1 (0.47) KARS1POLA1SOD1CYP3A4MAPT
SCHEMBL18290304 0.71 KARS1 (0.42) KARS1POLA1SOD1CYP3A4MAPT
Hypargenin C SCHEMBL18290364 0.66 SOD1 (0.55) KARS1SOD1CYP3A4MAPTBCL9
Hypargenin C SCHEMBL31083234 0.66 SOD1 (0.55) KARS1SOD1CYP3A4MAPTBCL9
Hypargenin C SCHEMBL13532268 0.66 SOD1 (0.55) KARS1SOD1CYP3A4MAPTBCL9
Sugiol SCHEMBL28605319 0.66 SOD1 (0.58) KARS1SOD1CYP3A4MAPTMEN1

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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