SCHEMBL30712349

SCHEMBL30712349

CC(C)c1cc2c(cc1O)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.49
▸ KARS1 Q15046 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ GGPS1 O95749 3/20 0.39
▸ FDPS P14324 2/20 0.39
▸ ACHE P22303 1/20 0.39
▸ AR P10275 2/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ HSD17B1 P14061 1/20 0.34

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
SCHEMBL18290372 0.82 SOD1 (0.65) SOD1KARS1ALDH1A1CYP3A4MAPT
Sugiol SCHEMBL28605319 0.82 SOD1 (0.58) SOD1KARS1ALDH1A1CYP3A4MAPT
Sugiol SCHEMBL1086916 0.82 SOD1 (0.58) SOD1KARS1ALDH1A1CYP3A4MAPT
Sugiol SCHEMBL17407685 0.82 SOD1 (0.58) SOD1KARS1ALDH1A1CYP3A4MAPT
SCHEMBL30467251 0.81 CYP3A4 (0.58) KARS1ALDH1A1CYP3A4MAPTALOX15
SCHEMBL29553306 0.80 KARS1 (0.64) KARS1ALDH1A1CYP3A4MAPTGGPS1
SCHEMBL29934307 0.78 KARS1 (0.65) SOD1KARS1ALDH1A1CYP3A4MAPT
SCHEMBL18290229 0.78 SOD1 (0.72) SOD1KARS1ALDH1A1CYP3A4MAPT
SCHEMBL18290200 0.69 SOD1 (0.76) SOD1KARS1ALDH1A1CYP3A4MAPT
SCHEMBL29403700 0.68 ESR1 (0.48) SOD1KARS1ALDH1A1CYP3A4MAPT

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-2023245306-A2 GENERATION AND CULTIVATION CONDITIONS OF BACILLUS SUBTILIS STRAIN CAPABLE OF PRODUCING ASTAXANTHIN (ATX) Universidad de Concepción (CL) 2023-12-28 — — WO disclosed
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