SCHEMBL7277580

SCHEMBL7277580

CCC(C)(OC)C(N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC1A2 P43004 5/20 0.34
SLC1A1 P43005 5/20 0.34
SLC1A3 P43003 4/20 0.34
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRIK1 P39086 5/20 0.32
GRIK2 Q13002 3/20 0.32
SLC7A5 Q01650 1/20 0.31
KIF11 P52732 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL7277575 1.00 ALDH1A1 (0.45) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL1146978 0.73 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL5288950 0.73 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL3821550 0.73 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL1631413 0.73 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL1146980 0.73 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL23462497 0.71 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL1237496 0.71 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL7379812 0.71 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL5324300 0.71 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1SLC1A2SLC1A1

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-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-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 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