SCHEMBL18290292

SCHEMBL18290292

CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(CO)C1[C@@H](O)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 1.00
▸ KARS1 Q15046 3/20 0.41
▸ CYP3A4 P08684 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ AR P10275 2/20 0.38
▸ FDPS P14324 6/20 0.35
▸ GGPS1 O95749 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL18290208 1.00 SOD1 (1.00) SOD1KARS1CYP3A4MAPTALOX15
SCHEMBL18290200 0.86 SOD1 (0.76) SOD1KARS1CYP3A4MAPTALOX15
SCHEMBL18290229 0.83 SOD1 (0.72) SOD1KARS1CYP3A4MAPTALOX15
SCHEMBL18290372 0.79 SOD1 (0.65) SOD1KARS1CYP3A4MAPTALOX15
Sugiol SCHEMBL1086916 0.74 SOD1 (0.58) SOD1KARS1CYP3A4MAPTALOX15
Sugiol SCHEMBL28605319 0.74 SOD1 (0.58) SOD1KARS1CYP3A4MAPTALOX15
Sugiol SCHEMBL17407685 0.74 SOD1 (0.58) SOD1KARS1CYP3A4MAPTALOX15
SCHEMBL18290228 0.73 SOD1 (0.55) SOD1CYP3A4MAPTALOX15USP2
SCHEMBL15390300 0.72 SOD1 (0.57) SOD1KARS1CYP3A4MAPTALOX15
SCHEMBL15390301 0.72 SOD1 (0.57) SOD1KARS1CYP3A4MAPTALOX15

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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