SCHEMBL11238441

SCHEMBL11238441

COc1cccc2c(Nc3ccccc3C)c(C(=O)OC(C)C)cnc12

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.70
ATP4B P51164 1/20 0.70

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
SCHEMBL9652120 0.88 ATP4A (0.77) ATP4AATP4B
SCHEMBL9650910 0.88 ATP4A (0.73) ATP4AATP4B
SCHEMBL7847409 0.87 ATP4A (0.78) ATP4AATP4B
SCHEMBL11242372 0.86 ATP4A (0.77) ATP4AATP4B
Hydrochloric Acid SCHEMBL11233459 0.86 ATP4A (0.76) ATP4AATP4B
Hydrochloric Acid SCHEMBL11239629 0.85 ATP4A (0.76) ATP4AATP4B
SCHEMBL11297241 0.84 ATP4A (0.68) ATP4AATP4B
SCHEMBL10499646 0.84 ATP4A (0.74) ATP4AATP4B
Phosphoric Acid SCHEMBL11241738 0.83 ATP4A (0.72) ATP4AATP4B
Sulfuric Acid SCHEMBL11232152 0.83 ATP4A (0.72) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4343804-A 4-Amino-3-quinolinecarboxylic acids and esters-antisecretory anti-ulcer compounds A. H. ROBINS COMPANY, INC. (US) 1982-08-10 US claimed
US-4343804-A 4-Amino-3-quinolinecarboxylic acids and esters-antisecretory anti-ulcer compounds A. H. ROBINS COMPANY, INC. (US) 1982-08-10 US disclosed