SCHEMBL28031310

SCHEMBL28031310

Cc1ncc(CO)c(C(O)OC(=O)CCC(=O)C(=O)OC(O)c2c(CO)cnc(C)c2O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ HPGD P15428 4/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 5/20 0.40
▸ PDXK O00764 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ AOX1 Q06278 1/20 0.40
▸ TRIM24 O15164 1/20 0.39
▸ TRIM33 Q9UPN9 1/20 0.39
▸ HDAC1 Q13547 2/20 0.33
▸ HTT P42858 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ APEX1 P27695 1/20 0.33

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
SCHEMBL28806636 0.88 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL27339626 0.84 PDXK (0.48) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL27606029 0.82 PDXK (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL27588200 0.82 PDXK (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL27539162 0.82 PDXK (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL27437788 0.81 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL27954224 0.76 LMNA (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL28517132 0.75 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL28049059 0.73 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL1545975 0.72 PDXK (0.53) KDM4EALDH1A1HPGDHSD17B10LMNA

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-104825433-A Novel medical application of alpha-ketoglutaric acid KRUSZEWSKA DANUTA 2015-08-12 — — CN disclosed
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