SCHEMBL8178451

SCHEMBL8178451

CCC(=O)c1cnc2c(OCC[S+](C)[O-])cccc2c1Nc1ccccc1C

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 1/20 0.64
▸ ATP4B P51164 1/20 0.64

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
SCHEMBL8194326 0.95 ATP4A (0.62) ATP4AATP4B
SCHEMBL8187635 0.94 ATP4A (0.73) ATP4AATP4B
SCHEMBL8193231 0.91 ATP4A (0.64) ATP4AATP4B
SCHEMBL8179558 0.91 — —
SCHEMBL8193199 0.89 ATP4A (0.72) ATP4AATP4B
SCHEMBL8189027 0.89 ATP4A (0.63) ATP4AATP4B
SCHEMBL9394652 0.88 ATP4A (0.66) ATP4AATP4B
SCHEMBL9157247 0.88 ATP4A (0.69) ATP4AATP4B
SCHEMBL8187339 0.85 ATP4A (0.66) ATP4AATP4B
SCHEMBL8194310 0.85 ATP4A (0.60) ATP4AATP4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702672-B1 SUBSTITUTED QUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2000-09-06 — — EP disclosed
US-5889021-A GASTROINTESTINAL DISORDERS; ANTISECRETORY AGENTS; ANTIINFLAMMATORY AGENTS ASTRA AKTIEBOLAG (SE) 1999-03-30 — — US disclosed
US-5556863-A ANTIINFLAMMATORY AGENTS AND ANTISECRETORY AGENTS FOR GASTRIC JUICE ASTRA AKTIEBOLAG (SE) 1996-09-17 — — US disclosed
WO-1994029274-A1 NEW ACTIVE COMPOUNDS ASTRA AKTIEBOLAG (SE) 1994-12-22 — — WO disclosed
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