SCHEMBL18290213

SCHEMBL18290213

CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@]3(CO3)C1=CC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.41
▸ KARS1 Q15046 1/20 0.36
▸ CACNA1G O43497 1/20 0.34
▸ USP7 Q93009 2/20 0.33
▸ HIF1A Q16665 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ FDPS P14324 5/20 0.32
▸ GGPS1 O95749 3/20 0.32
▸ PTGES O14684 1/20 0.32
▸ PNLIP P16233 1/20 0.32

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
SCHEMBL17403057 0.87 CACNA1G (0.44) SOD1KARS1CACNA1GUSP7HIF1A
SCHEMBL18290203 0.82 CACNA1G (0.32) CACNA1GUSP7
SCHEMBL18290228 0.79 SOD1 (0.55) SOD1CYP3A4MAPTALOX15
SCHEMBL18290354 0.77 SOD1 (0.41) SOD1KARS1HIF1ALMNATP53
SCHEMBL17403058 0.71 CACNA1G (0.42) CACNA1GUSP7HIF1ACYP3A4MAPT
SCHEMBL3186292 0.70 SOD1 (0.43) SOD1KARS1USP7HIF1ALMNA
SCHEMBL19915508 0.68 SOD1 (0.42) SOD1KARS1USP7HIF1ALMNA
Salvinolone SCHEMBL29931087 0.68 FDPS (0.45) CACNA1GTP53CYP3A4MAPTCYP2C9
SCHEMBL18290301 0.67 SOD1 (0.47) SOD1KARS1USP7HIF1ALMNA
SCHEMBL18290239 0.67 SOD1 (0.47) SOD1KARS1USP7HIF1ALMNA

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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