SCHEMBL10368552

SCHEMBL10368552

COc1cc(C[S+]([O-])c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ncc1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 6/20 0.53
ATP4B P51164 6/20 0.53
ATP1A1 P05023 2/20 0.44
ATP1B1 P05026 2/20 0.44
ATP1A3 P13637 2/20 0.44
ATP1B2 P14415 2/20 0.44
ATP1A2 P50993 2/20 0.44
ATP1B3 P54709 2/20 0.44
FXYD2 P54710 2/20 0.44
ATP1A4 Q13733 2/20 0.44
CSNK1E P49674 6/20 0.38
CSNK1G3 Q9Y6M4 1/20 0.36
RET P07949 1/20 0.33
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
PDE10A Q9Y233 1/20 0.30
P2RX7 Q99572 2/20 0.30

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
SCHEMBL10375022 0.94 ATP4A (0.46) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6882120 0.92 ATP4A (0.62) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10934661 0.90 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10368630 0.89 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10372883 0.89 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10376356 0.88 ATP4A (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6883713 0.86 ATP4A (0.55) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9784698 0.86 PDE10A (0.38) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10372082 0.84 ATP4A (0.51) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9560526 0.84 ATP4A (0.51) ATP4AATP4BATP1A1ATP1B1ATP1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127763-B1 TRICYCLIC ETHERS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1990-01-24 EP claimed
EP-0127763-A1 Tricyclic ethers, process for their preparation, their use and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-12-12 EP claimed
EP-0127763-B1 TRICYCLIC ETHERS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1990-01-24 EP disclosed
US-4560693-A ANTISECRETORY, ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1985-12-24 US disclosed
EP-0127763-A1 Tricyclic ethers, process for their preparation, their use and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-12-12 EP disclosed