SCHEMBL9688618

SCHEMBL9688618

COc1cnc(COC(C)=O)c(C)c1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.45
DPP4 P27487 11/20 0.38
ATP4A P20648 4/20 0.38
ATP4B P51164 4/20 0.38
ATP1A1 P05023 3/20 0.38
ATP1B1 P05026 3/20 0.38
ATP1A3 P13637 3/20 0.38
ATP1B2 P14415 3/20 0.38
ATP1A2 P50993 3/20 0.38
ATP1B3 P54709 3/20 0.38
FXYD2 P54710 3/20 0.38
ATP1A4 Q13733 3/20 0.38
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL7952261 0.86 AGXT (0.62) AGXTATP4AATP4BATP1A1ATP1B1
SCHEMBL6876891 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2
SCHEMBL2111401 0.85 AGXT (0.45) AGXTDPP4ALDH1A1KDM4EMEN1
SCHEMBL3799664 0.84 AGXT (0.44) AGXTDPP4ALDH1A1MEN1KMT2A
SCHEMBL3796812 0.81 AGXT (0.42) AGXTDPP4ALDH1A1KDM4E
SCHEMBL9688517 0.79 AGXT (0.46) AGXTDPP4ATP4AATP4BATP1A1
SCHEMBL2984300 0.77 ALDH1A1 (0.39) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL3392818 0.77 AGXT (0.37) AGXTDPP4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9784656 0.76 AGXT (0.45) AGXTDPP4ALDH1A1MEN1KMT2A
SCHEMBL2112911 0.76 AGXT (0.45) AGXTDPP4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201575-B1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1992-08-12 EP disclosed
EP-0166287-B1 DIALKOXYRIDINES, PROCESS FOR THEIR PREPARATION, THEIR APPLICATION AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1989-08-23 EP disclosed
US-4758579-A e.g. pantoprazole or pantoprazole sodium BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-07-19 US disclosed
US-4686230-A Picoline derivative useful as gastric acid secretion inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-08-11 US disclosed
EP-0201575-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1986-11-20 EP disclosed
WO-1986002646-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) 1986-05-09 WO disclosed
EP-0166287-A1 Dialkoxyridines, process for their preparation, their application and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-01-02 EP disclosed