SCHEMBL9723909

SCHEMBL9723909

CCCC(=O)c1cnc2c(C(=O)O)cccc2c1Nc1ccccc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 1/20 0.74
▸ ATP4B P51164 1/20 0.74

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
SCHEMBL10592838 0.95 ATP4A (0.68) ATP4AATP4B
SCHEMBL9650832 0.91 ATP4A (0.80) ATP4AATP4B
SCHEMBL9723915 0.90 ATP4A (0.73) ATP4AATP4B
SCHEMBL9723910 0.89 ATP4A (0.78) ATP4AATP4B
SCHEMBL9260552 0.88 ATP4A (0.76) ATP4AATP4B
SCHEMBL9270832 0.87 ATP4A (0.74) ATP4AATP4B
SCHEMBL9349742 0.87 ATP4A (0.74) ATP4AATP4B
SCHEMBL451221 0.85 ATP4A (1.00) ATP4AATP4B
SCHEMBL29402089 0.85 ATP4A (1.00) ATP4AATP4B
SCHEMBL9272700 0.85 ATP4A (0.71) 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
US-5089498-A Gastrointestinal disorders SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1992-02-18 — — US claimed
EP-0339768-A1 4-Amino-3-acylquinoline derivatives, and their use as inhibitors of gastric secretion SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-11-02 — — EP claimed
US-5089498-A Gastrointestinal disorders SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1992-02-18 — — US disclosed
EP-0339768-A1 4-Amino-3-acylquinoline derivatives, and their use as inhibitors of gastric secretion SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-11-02 — — EP disclosed
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