SCHEMBL18290228

SCHEMBL18290228

CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@](C)(CO)C1[C@@H](Oc1cc3c(cc1C(C)C)C(=O)C=C1[C@]4(CCC[C@@]13C)CO4)C2=O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.55
▸ USP2 O75604 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30

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
SCHEMBL18290213 0.79 SOD1 (0.41) SOD1CYP3A4MAPTALOX15
SCHEMBL18290203 0.74 CACNA1G (0.32) —
SCHEMBL18290292 0.73 SOD1 (1.00) SOD1USP2CYP3A4MAPTHPGD
SCHEMBL18290208 0.73 SOD1 (1.00) SOD1USP2CYP3A4MAPTHPGD
SCHEMBL18290235 0.71 SOD1 (0.38) SOD1
SCHEMBL17403057 0.69 CACNA1G (0.44) SOD1CYP3A4MAPTALOX15
SCHEMBL18290234 0.68 SOD1 (0.36) SOD1
SCHEMBL18290229 0.66 SOD1 (0.72) SOD1USP2CYP3A4MAPTHPGD
SCHEMBL18290200 0.65 SOD1 (0.76) SOD1USP2CYP3A4MAPTALOX15
SCHEMBL18290354 0.62 SOD1 (0.41) SOD1CYP3A4MAPTALOX15

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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