SCHEMBL31440772

SCHEMBL31440772

[2H]C1([2H])C(=O)O[C@](C#C)(CO)[C@@]1([2H])OC(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 3/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ PRKCB P05771 1/20 0.36
▸ PRKCE Q02156 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ SCN1A P35498 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ LGALS9 O00182 1/20 0.34
▸ LGALS1 P09382 1/20 0.34
▸ LGALS3 P17931 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL29678666 0.80 PRKCA (0.40) PRKCAPRKCGPRKCBPRKCEPRKCD
SCHEMBL18670644 0.72 PRKCA (0.41) PRKCAPRKCGPRKCBPRKCEPRKCD
SCHEMBL18670642 0.72 PRKCA (0.41) PRKCAPRKCGPRKCBPRKCEPRKCD
SCHEMBL29678706 0.67 HPGD (0.37) PRKCAPRKCGPRKCBPRKCEPRKCD
SCHEMBL29678404 0.65 PRKCA (0.36) PRKCAPRKCGPRKCBPRKCEPRKCD
SCHEMBL31308611 0.65 POLB (0.40) PRKCAPRKCGPRKCBPRKCEPRKCD
SCHEMBL29429746 0.65 POLB (0.40) PRKCAPRKCGPRKCBPRKCEPRKCD
SCHEMBL18670654 0.64 HPGD (0.38) PRKCAPRKCGPRKCBPRKCEPRKCD
SCHEMBL18670630 0.64 HPGD (0.38) PRKCAPRKCGPRKCBPRKCEPRKCD
SCHEMBL18670646 0.63 SCN1A (0.38) PRKCAPRKCGPRKCBPRKCEPRKCD

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-114502175-B Adenosine derivatives and pharmaceutical compositions containing the same 腾盛博药生物科技有限公司 2025-02-25 — — CN disclosed
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