SCHEMBL29809879

SCHEMBL29809879

C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@]2(O)CCl)[C@H]2C(C)=C(O)C[C@@H]12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL18180912 0.77 MEN1 (0.33) MEN1ALDH1A1MAPTKMT2A
SCHEMBL18180918 0.77 MEN1 (0.33) MEN1ALDH1A1MAPTKMT2A
SCHEMBL15449258 0.73 MEN1 (0.31) MEN1ALDH1A1MAPTKMT2A
SCHEMBL10307513 0.70 MEN1 (0.30) MEN1ALDH1A1MAPTKMT2A
SCHEMBL18180928 0.67 — —
SCHEMBL10307515 0.67 — —
SCHEMBL18180919 0.61 MEN1 (0.34) MEN1ALDH1A1MAPTKMT2A
SCHEMBL18180931 0.56 — —
SCHEMBL19751054 0.54 TXNRD1 (0.32) MEN1ALDH1A1MAPTKMT2A
SCHEMBL10307518 0.53 MAPT (0.32) MEN1ALDH1A1MAPTKMT2A

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
CN-109485626-B Method for extracting guaiane type sesquiterpene from artichoke 中南林业科技大学 2022-09-20 — — CN disclosed
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