SCHEMBL10368604

SCHEMBL10368604

COc1c(C)cnc(C[S+]([O-])c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 9/20 0.53
ATP4B P51164 9/20 0.53
ATP1A1 P05023 3/20 0.43
ATP1B1 P05026 3/20 0.43
ATP1A3 P13637 3/20 0.43
ATP1B2 P14415 3/20 0.43
ATP1A2 P50993 3/20 0.43
ATP1B3 P54709 3/20 0.43
FXYD2 P54710 3/20 0.43
ATP1A4 Q13733 3/20 0.43
BRS3 P32247 2/20 0.39
WDR5 P61964 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2C9 P11712 2/20 0.38
DDAH1 O94760 2/20 0.38
ENGASE Q8NFI3 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ABCB11 O95342 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL10938274 0.94 ATP4A (0.47) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6877417 0.93 ATP4A (0.49) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6879443 0.92 ATP4A (0.64) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10938269 0.90 ATP4A (0.44) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10376269 0.89 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10369611 0.89 ATP4A (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9688948 0.88 ATP4A (0.44) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6878716 0.88 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6878700 0.87 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9793531 0.87 BRS3 (0.41) 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