SCHEMBL7065550

SCHEMBL7065550

CN(C)C(=O)c1[nH]c(C(=O)N(C)C)c(O)c1O.[NaH].[NaH]

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM5A P29375 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16163683 0.71 LMNA (0.43) ALDH1A1HPGDSMN1; SMN2
SCHEMBL9786577 0.65 L3MBTL1 (0.46) L3MBTL1ALDH1A1HPGD
SCHEMBL7063919 0.65 NPSR1 (0.52) L3MBTL1ALDH1A1HPGD
SCHEMBL16163601 0.62 ALDH1A1 (0.41) KDM5AALDH1A1HPGDSMN1; SMN2
SCHEMBL2119014 0.59 KDM4E (0.52) L3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL13528328 0.56 ALDH1A1 (0.32) ALDH1A1HPGDSMN1; SMN2
SCHEMBL1004649 0.56 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2
SCHEMBL197079 0.56 — —
SCHEMBL12221612 0.56 SMN1; SMN2 (0.52) ALDH1A1HPGDSMN1; SMN2
SCHEMBL13488039 0.54 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608164-B2 Diaryl carbonate reacted with dihydroxy aromatic compounds in the presence of a transesterification catalyst; furan diol derivative is dimethyl 3,4-dihydroxy-2,5-furandiacarboxylate disodium salt GENERAL ELECTRIC COMPANY 2003-08-19 — — US disclosed
US-20030114633-A1 Salts of heterocyclic diols as catalysts for melt polycarbonate GENERAL ELECTRIC COMPANY 2003-06-19 — — US disclosed
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