SCHEMBL18290209

SCHEMBL18290209

CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@]3(C)C(=O)O[C@H](C2)C31

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 1/20 0.50
▸ SOD1 P00441 1/20 0.48
▸ FDPS P14324 5/20 0.37
▸ GGPS1 O95749 1/20 0.37
▸ PTGES O14684 2/20 0.36
▸ PNLIP P16233 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ JUN P05412 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GLI1 P08151 2/20 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
Sugiol SCHEMBL17407685 0.69 SOD1 (0.58) KARS1SOD1FDPSGGPS1PTGES
Sugiol SCHEMBL1086916 0.69 SOD1 (0.58) KARS1SOD1FDPSGGPS1PTGES
Sugiol SCHEMBL28605319 0.69 SOD1 (0.58) KARS1SOD1FDPSGGPS1PTGES
Ferruginol SCHEMBL155580 0.68 KARS1 (0.73) KARS1FDPSGGPS1PTGESPNLIP
Ferruginol SCHEMBL5315022 0.68 KARS1 (0.73) KARS1FDPSGGPS1PTGESPNLIP
Ferruginol SCHEMBL13423521 0.68 KARS1 (0.73) KARS1FDPSGGPS1PTGESPNLIP
SCHEMBL13532266 0.68 SOD1 (0.52) KARS1SOD1FDPSGGPS1PTGES
SCHEMBL21360678 0.68 OPRM1 (0.65) KARS1SOD1FDPSGGPS1NR1I2
SCHEMBL21360690 0.68 OPRM1 (0.65) KARS1SOD1FDPSGGPS1NR1I2
SCHEMBL18290200 0.68 SOD1 (0.76) KARS1SOD1FDPSGGPS1PTGES

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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