SCHEMBL10370892

SCHEMBL10370892

CCOc1ccnc(C[S+]([O-])c2nc3cc4c(cc3[nH]2)OC(F)C(F)(F)O4)c1C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.42
ATP4B P51164 4/20 0.42
ATP1A1 P05023 1/20 0.42
ATP1B1 P05026 1/20 0.42
ATP1A3 P13637 1/20 0.42
ATP1B2 P14415 1/20 0.42
ATP1A2 P50993 1/20 0.42
ATP1B3 P54709 1/20 0.42
FXYD2 P54710 1/20 0.42
ATP1A4 Q13733 1/20 0.42

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
SCHEMBL10369900 0.93 ATP4A (0.51) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6878512 0.92 ATP4A (0.39) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10934450 0.89 ATP4A (0.53) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6880071 0.88 ATP4A (0.40) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6881075 0.86 ATP4A (0.51) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10373903 0.84 ATP4A (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10369761 0.84 ATP4A (0.35) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6883153 0.83 ATP4A (0.39) ATP4AATP4B
SCHEMBL6882401 0.83 ATP4A (0.34) ATP4AATP4B
SCHEMBL6883093 0.82 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 3 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 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