SCHEMBL8848199

SCHEMBL8848199

CCCC(=O)OCn1[c]nnn1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
DGKA P23743 1/20 0.31

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
SCHEMBL8848107 0.78 ALDH1A1 (0.45) ALDH1A1
SCHEMBL2441030 0.72 MAPK1 (0.47) ALDH1A1
SCHEMBL1736515 0.65
SCHEMBL2618716 0.64 ALDH1A1 (0.63) ALDH1A1DGKA
SCHEMBL10901590 0.62 ALDH1A1 (0.60) ALDH1A1DGKA
SCHEMBL17449766 0.62
SCHEMBL6115 0.62
Bis(Butyryloxymethyl) Succinate SCHEMBL18747588 0.62 ALDH1A1 (0.60) ALDH1A1DGKA
Ethylene Glycol Dibutanoate SCHEMBL104207 0.62 DGKA (0.65) ALDH1A1DGKA
SCHEMBL1866106 0.62 ALDH1A1 (0.60) ALDH1A1DGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0581166-A1 Benzimidazoles, process for their preparation and their use as angiotensin-II antagonists Dr. Karl Thomae GmbH (DE) 1994-02-02 EP disclosed