SCHEMBL9686722

SCHEMBL9686722

COc1cnc(COC(C)=O)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
CYP3A4 P08684 2/20 0.39
TNFSF11 O14788 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TNKS2 Q9H2K2 1/20 0.36
DPP4 P27487 2/20 0.36
MYC P01106 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
TSHR P16473 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
SCHEMBL24047005 0.90 SMN1; SMN2 (0.36) SMN1; SMN2CYP3A4TNFSF11ALDH1A1TNKS2
SCHEMBL4133838 0.87 SMN1; SMN2 (0.37) SMN1; SMN2CYP3A4TNFSF11ALDH1A1TNKS2
SCHEMBL9784763 0.87 SMN1; SMN2 (0.37) SMN1; SMN2CYP3A4TNFSF11ALDH1A1TNKS2
SCHEMBL25259332 0.86 TNKS2 (0.37) SMN1; SMN2TNFSF11ALDH1A1TNKS2RXFP1
SCHEMBL15273810 0.86 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1TNKS2RXFP1TSHR
SCHEMBL4135777 0.83 HSD11B1 (0.33) ALDH1A1DPP4ATP4AATP4B
SCHEMBL11843092 0.80 ALOX5 (0.43) CYP3A4ALDH1A1TNKS2
SCHEMBL7238959 0.79 CYP3A4 (0.53) SMN1; SMN2CYP3A4TNFSF11ALDH1A1DPP4
SCHEMBL16748702 0.78 ALDH1A1 (0.44) SMN1; SMN2CYP3A4ALDH1A1KMT2ATSHR
SCHEMBL8683298 0.78 HTT (0.39) SMN1; SMN2CYP3A4TNFSF11ALDH1A1HTT

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