SCHEMBL7064630

SCHEMBL7064630

COC(=O)c1[nH]c(C(=O)OC)c(O)c1O.[KH].[KH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.52
KDM4E B2RXH2 4/20 0.52
GAA P10253 4/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
PADI4 Q9UM07 1/20 0.52
KDM4C Q9H3R0 1/20 0.50
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
XDH P47989 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
FUT7 Q11130 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38

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
SCHEMBL29215380 0.97 NPSR1 (0.53) NPSR1KDM4EGAAALDH1A1HTT
SCHEMBL7063919 0.95 NPSR1 (0.52) NPSR1KDM4EGAAALDH1A1HTT
SCHEMBL11282667 0.78 NPSR1 (0.52) NPSR1KDM4EGAAALDH1A1HTT
SCHEMBL30483935 0.77 NPSR1 (0.50) NPSR1KDM4EGAAALDH1A1HTT
SCHEMBL7063923 0.73 KDM4C (0.44) NPSR1KDM4EGAAALDH1A1HTT
Potassium Ion SCHEMBL7064631 0.73 KDM4C (0.44) NPSR1KDM4EGAAALDH1A1HTT
SCHEMBL4207606 0.71 KDM4E (0.69) NPSR1KDM4EGAAALDH1A1HTT
SCHEMBL3580260 0.69 ALDH1A1 (1.00) NPSR1KDM4EGAAALDH1A1HTT
SCHEMBL3556725 0.69 LMNA (0.42) NPSR1KDM4EGAAALDH1A1HTT
SCHEMBL3360258 0.69 ALDH1A1 (0.40) NPSR1KDM4EGAAALDH1A1HTT

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