SCHEMBL18290302

SCHEMBL18290302

CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@]3(C)CO[C@H](C31)[C@@H]2O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.47
▸ KARS1 Q15046 1/20 0.39
▸ FDPS P14324 3/20 0.35
▸ CYP19A1 P11511 1/20 0.33
▸ PTGES O14684 1/20 0.31
▸ PNLIP P16233 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL18290294 0.76 SOD1 (0.43) SOD1KARS1FDPS
SCHEMBL16006731 0.68 CYP19A1 (0.60) SOD1KARS1FDPSCYP19A1PTGES
SCHEMBL18290200 0.67 SOD1 (0.76) SOD1KARS1FDPSCYP19A1PTGES
SCHEMBL18290243 0.65 SOD1 (0.45) SOD1KARS1FDPSCYP19A1PTGES
SCHEMBL18290292 0.64 SOD1 (1.00) SOD1KARS1FDPS
SCHEMBL18290208 0.64 SOD1 (1.00) SOD1KARS1FDPS
SCHEMBL18290209 0.64 KARS1 (0.50) SOD1KARS1FDPSCYP19A1PTGES
SCHEMBL18290199 0.61 KARS1 (0.40) SOD1KARS1FDPSCYP19A1MEN1
Sugiol SCHEMBL17407685 0.60 SOD1 (0.58) SOD1KARS1FDPSCYP19A1PTGES
Sugiol SCHEMBL28605319 0.60 SOD1 (0.58) SOD1KARS1FDPSCYP19A1PTGES

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
Send feedback