SCHEMBL877883

SCHEMBL877883

CC(C)(C)OC(=O)N[C@@H]1COc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SCN9A Q15858 6/20 0.38
▸ KCNH2 Q12809 4/20 0.38
▸ SCN5A Q14524 4/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ MTNR1A P48039 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL12503907 0.87 SCN9A (0.39) SCN9AKCNH2SCN5AMTNR1A
SCHEMBL28356770 0.80 MTNR1A (0.45) MTNR1A
SCHEMBL19054490 0.79 TP53 (0.44) KMT2AL3MBTL1SCN9AKCNH2SCN5A
SCHEMBL19667663 0.79 EPHX2 (0.43) KMT2AL3MBTL1SCN9AKCNH2SCN5A
SCHEMBL31498775 0.77 GAA (0.39) KMT2AL3MBTL1EPHX2GAAUSP30
SCHEMBL29771969 0.77 GAA (0.36) KMT2AL3MBTL1EPHX2GAAUSP30
SCHEMBL1875351 0.77 GAA (0.36) KMT2AL3MBTL1EPHX2GAAUSP30
SCHEMBL1875354 0.77 GAA (0.36) KMT2AL3MBTL1EPHX2GAAUSP30
SCHEMBL1878236 0.77 GAA (0.36) KMT2AL3MBTL1EPHX2GAAUSP30
SCHEMBL31704275 0.75 PRMT5 (0.44) EPHX2GAAUSP30KDM1AMAOB

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-2012039657-A1 NOVEL CHROMANE COMPOUND FOR THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2012-03-29 — — WO disclosed
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