SCHEMBL9724993

SCHEMBL9724993

CCCC(=O)c1cnc2c(OC)cccc2c1Nc1cccc(CO)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 1/20 0.77
▸ ATP4B P51164 1/20 0.77

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
SCHEMBL9724849 0.92 ATP4A (0.80) ATP4AATP4B
SCHEMBL9652118 0.88 ATP4A (0.86) ATP4AATP4B
SCHEMBL451221 0.87 ATP4A (1.00) ATP4AATP4B
SCHEMBL29402089 0.87 ATP4A (1.00) ATP4AATP4B
SCHEMBL9724889 0.86 ATP4A (0.77) ATP4AATP4B
Hydrochloric Acid SCHEMBL9652165 0.86 ATP4A (0.98) ATP4AATP4B
SCHEMBL9725037 0.84 ATP4A (0.76) ATP4AATP4B
SCHEMBL9650838 0.83 ATP4A (0.85) ATP4AATP4B
SCHEMBL9506605 0.82 ATP4A (0.80) ATP4AATP4B
SCHEMBL27326833 0.82 ATP4A (0.80) 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-5082848-A Gastrointestinal disorders SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1992-01-21 — — US claimed
EP-0331357-A1 4-Amino-3-acylquinoline derivatives and their use as inhibitors of gastric secretion SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-09-06 — — EP claimed
US-5082848-A Gastrointestinal disorders SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1992-01-21 — — US disclosed
EP-0331357-A1 4-Amino-3-acylquinoline derivatives and their use as inhibitors of gastric secretion SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-09-06 — — EP disclosed
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