SCHEMBL29678706

SCHEMBL29678706

[2H]C1([2H])C(O)O[C@](C#C)(COC(=O)c2ccc(C)cc2)[C@H]1OC(=O)c1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.37
▸ PRKCA P17252 2/20 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 0.34
▸ SCN2A Q99250 1/20 0.34
▸ SCN3A Q9NY46 1/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ LGALS9 O00182 1/20 0.34
▸ LGALS1 P09382 1/20 0.34
▸ LGALS3 P17931 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL18670654 0.89 HPGD (0.38) HPGDPRKCAPRKCGPRKCBPRKCE
SCHEMBL18670630 0.89 HPGD (0.38) HPGDPRKCAPRKCGPRKCBPRKCE
SCHEMBL29678404 0.87 PRKCA (0.36) HPGDPRKCAPRKCGPRKCBPRKCE
SCHEMBL18670648 0.82 SCN1A (0.38) HPGDPRKCAPRKCGPRKCBPRKCE
SCHEMBL18670646 0.82 SCN1A (0.38) HPGDPRKCAPRKCGPRKCBPRKCE
SCHEMBL29678666 0.81 PRKCA (0.40) HPGDPRKCAPRKCGPRKCBPRKCE
SCHEMBL18670633 0.80 PRKCA (0.37) HPGDPRKCAPRKCGPRKCBPRKCE
SCHEMBL26135802 0.80 PRKCA (0.37) HPGDPRKCAPRKCGPRKCBPRKCE
SCHEMBL18670631 0.80 PRKCA (0.37) HPGDPRKCAPRKCGPRKCBPRKCE
SCHEMBL26129664 0.80 PRKCA (0.37) HPGDPRKCAPRKCGPRKCBPRKCE

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
EP-4003369-A1 ADENOSINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Brii Biosciences, Inc. (US) 2022-06-01 — — EP disclosed
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