SCHEMBL9410679

SCHEMBL9410679

C=CCN(C(=O)O)[C@@H](CS)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC7A11 Q9UPY5 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
SCHEMBL9410676 1.00 ALDH1A1 (0.31) ALDH1A1PTGS1SLC7A11
SCHEMBL8752967 1.00 ALDH1A1 (0.31) ALDH1A1PTGS1SLC7A11
SCHEMBL7141008 0.84 CPN1 (0.35) PTGS1SLC7A11
SCHEMBL4541470 0.80 ALDH1A1 (0.33) ALDH1A1PTGS1SLC7A11
SCHEMBL4541471 0.80 ALDH1A1 (0.33) ALDH1A1PTGS1SLC7A11
SCHEMBL1158205 0.78 ALDH1A1 (0.32) ALDH1A1PTGS1SLC7A11
SCHEMBL2358765 0.78 ALDH1A1 (0.32) ALDH1A1PTGS1SLC7A11
SCHEMBL3664276 0.78 ALDH1A1 (0.32) ALDH1A1PTGS1SLC7A11
SCHEMBL2358767 0.78 ALDH1A1 (0.32) ALDH1A1PTGS1SLC7A11
SCHEMBL4409628 0.78 ALDH1A1 (0.32) ALDH1A1PTGS1SLC7A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588335-A1 Separation column and method for preventing its deterioration HITACHI, LTD. (JP) 1994-03-23 EP claimed