SCHEMBL7272260

SCHEMBL7272260

NC(CC=S)(C(=O)O)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL899527 0.71 ALDH1A1 (0.39) ALDH1A1L3MBTL1
SCHEMBL5489842 0.71 ALDH1A1 (0.39) ALDH1A1L3MBTL1
SCHEMBL28929632 0.70 ALDH1A1 (0.37) ALDH1A1L3MBTL1
SCHEMBL27561926 0.68 ALDH1A1 (0.36) ALDH1A1L3MBTL1
SCHEMBL28791221 0.65 FDPS (0.39) ALDH1A1L3MBTL1
SCHEMBL27363350 0.63 SMPD1 (0.43) ALDH1A1
SCHEMBL11001541 0.62 ODC1 (0.50)
SCHEMBL3111870 0.59
SCHEMBL28047148 0.59 ALDH1A1 (0.39) ALDH1A1L3MBTL1
SCHEMBL8601347 0.59 ARG1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP disclosed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP disclosed