Alpha-Ketoglutaric Acid

Alpha-Ketoglutaric Acid

SCHEMBL1411023

CCOc1cc2c(cc1OC)C(c1cnc(SC)nc1)=N[C@@H]1CC[C@@H](O)C[C@H]21.O=C(O)CCC(=O)C(=O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
KDM4E B2RXH2 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
Oxalic Acid SCHEMBL1411191 0.93 PDE4B (0.46) PDE4DPDE4APDE4BPDE4CKDM4E
Alpha-Ketoglutaric Acid SCHEMBL1411616 0.92 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL14696805 0.91 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1411596 0.91 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CKDM4E
Alpha-Ketoglutaric Acid SCHEMBL1410238 0.90 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKDM4E
Hydrochloric Acid SCHEMBL1411219 0.90 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKDM4E
Bromide SCHEMBL1411327 0.90 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKDM4E
Alpha-Ketoglutaric Acid SCHEMBL1410828 0.89 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKDM4E
Fumaric Acid SCHEMBL1411672 0.89 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKDM4E
Fumaric Acid SCHEMBL1411676 0.89 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194587-A1 phosphodiesterase inhibitor; drug for respiratory system disorders NYCOMED GMBH (DE) 2008-08-14 US claimed
US-8829189-B2 Salts of 6-heterocycle substituted hexahydrophenanthridine derivatives TAKEDA GMBH (DE) 2014-09-09 US disclosed
US-8754218-B2 Salts of 6-heterocycle substituted hexahydrophenanthridine derivatives TAKEDA GMBH (DE) 2014-06-17 US disclosed
US-20140039001-A1 NOVEL SALTS OF 6-HETEROCYCLE SUBSTITUTED HEXAHYDROPHENANTHRIDINE DERIVATIVES TAKEDA GMBH (DE) 2014-02-06 US disclosed
EP-2295423-B1 Novel salts of 6-heterocyclyl substituted hexahydrophenanthridine derivatives TAKEDA GMBH (DE) 2013-10-02 EP disclosed
EP-2189454-B1 Novel salts of 6-heterocyclyl substituted hexahydrophenanthridine derivatives TAKEDA GMBH (DE) 2013-09-25 EP disclosed
US-20130096152-A1 NOVEL SALTS OF 6-HETEROCYCLE SUBSTITUTED HEXAHYDROPHENANTHRIDINE DERIVATIVES NYCOMED GMBH (DE) 2013-04-18 US disclosed
US-8354535-B2 Salts of 6-heterocycle substituted hexahydrophenanthridine derivatives NYCOMED GMBH (DE) 2013-01-15 US disclosed
EP-2295423-A1 Novel salts of 6-heterocyclyl substituted hexahydrophenanthridine derivatives Nycomed GmbH (DE) 2011-03-16 EP disclosed
US-20100190818-A1 Novel salts of 6-heterocycle substituted hexahydrophenanthridine derivatives NYCOMED GMBH (DE) 2010-07-29 US disclosed
EP-2189454-A1 Novel salts of 6-heterocyclyl substituted hexahydrophenanthridine derivatives Nycomed GmbH (DE) 2010-05-26 EP disclosed
US-20080194587-A1 phosphodiesterase inhibitor; drug for respiratory system disorders NYCOMED GMBH (DE) 2008-08-14 US disclosed