SCHEMBL9688517

SCHEMBL9688517

COc1cnc(CO)c(C)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.46
DPP4 P27487 6/20 0.41
ATP4A P20648 4/20 0.38
ATP4B P51164 4/20 0.38
ATP1A1 P05023 3/20 0.37
ATP1B1 P05026 3/20 0.37
ATP1A3 P13637 3/20 0.37
ATP1B2 P14415 3/20 0.37
ATP1A2 P50993 3/20 0.37
ATP1B3 P54709 3/20 0.37
FXYD2 P54710 3/20 0.37
ATP1A4 Q13733 3/20 0.37
NUDT1 P36639 1/20 0.36
GFER P55789 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35

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
SCHEMBL27277833 0.83 AGXT (0.45) AGXTDPP4ATP4AATP4BATP1A1
SCHEMBL27278545 0.83 AGXT (0.45) AGXTDPP4ATP4AATP4BATP1A1
SCHEMBL29382857 0.82 AGXT (0.66) AGXTATP4AATP4BATP1A1ATP1B1
SCHEMBL1060082 0.82 AGXT (0.66) AGXTATP4AATP4BATP1A1ATP1B1
Hydrochloric Acid SCHEMBL9688862 0.81 AGXT (0.44) AGXTDPP4ATP4AATP4BATP1A1
Hydrochloric Acid SCHEMBL3247161 0.81 AGXT (0.64) AGXTATP4AATP4BATP1A1ATP1B1
SCHEMBL6875732 0.81 MAPT (0.50) AGXTATP4AATP4BMAPTADRA1D
SCHEMBL191985 0.79 AGXT (0.45) AGXTDPP4ATP4AATP4B
SCHEMBL191418 0.79 AGXT (0.45) AGXTDPP4ATP4AATP4BGFER
SCHEMBL9688618 0.79 AGXT (0.45) AGXTDPP4ATP4AATP4BATP1A1

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 9 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
CN-1011969-B Benzimidazole derivatives and their preparation BYK GULDEN LOMBERG CHEM FAB (DE) 1991-03-13 CN 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
CN-85104684-A The dialkoxy pyridine, their preparation method, purposes and contain their medicine 1986-12-31 CN 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