SCHEMBL18290235

SCHEMBL18290235

CO[C@@H]1c2cc(C(C)C)c(O)cc2[C@@]2(C)CCCC(C)(C)C2[C@H]1Oc1cc2c(cc1C(C)C)C(=O)C=C1C(C)(C)CCC[C@@]12C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.38
▸ KARS1 Q15046 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
SCHEMBL18290234 0.91 SOD1 (0.36) SOD1
SCHEMBL18290223 0.79 SOD1 (0.34) SOD1KARS1
SCHEMBL17403057 0.78 CACNA1G (0.44) SOD1KARS1
SCHEMBL17403058 0.74 CACNA1G (0.42) —
SCHEMBL18290220 0.72 SOD1 (0.33) SOD1KARS1
SCHEMBL18290228 0.71 SOD1 (0.55) SOD1
SCHEMBL18290213 0.68 SOD1 (0.41) SOD1KARS1
SCHEMBL18290200 0.65 SOD1 (0.76) SOD1KARS1
SCHEMBL18290354 0.64 SOD1 (0.41) SOD1KARS1
SCHEMBL18290240 0.63 FDPS (0.48) —

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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