SCHEMBL949638

SCHEMBL949638

O=C(O)C(N1C(=O)CCC1=O)C(C(=O)O)(S(=O)(=O)O)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35

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
Ethylene Glycol SCHEMBL31079756 0.94 ALDH1A1 (0.35) ALDH1A1PKM
SCHEMBL3631006 0.79
SCHEMBL2510978 0.72 ALDH1A1 (0.40) ALDH1A1PKM
SCHEMBL2511201 0.72 ALDH1A1 (0.40) ALDH1A1PKM
SCHEMBL8089850 0.71 PTGER4 (0.33) ALDH1A1PKM
SCHEMBL2128263 0.69 ALDH1A1 (0.38) ALDH1A1PKM
SCHEMBL4654434 0.68 ALDH1A1 (0.40) ALDH1A1PKM
SCHEMBL23716973 0.64 ALDH1A1 (0.46) ALDH1A1PKM
SCHEMBL31259418 0.64 ALDH1A1 (0.46) ALDH1A1PKM
SCHEMBL11769872 0.64 ALDH1A1 (0.40) ALDH1A1

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
EP-2448965-A1 MULTIMERIC PEPTIDE CONJUGATES AND USES THEREOF Angiochem Inc. (CA) 2012-05-09 EP disclosed
WO-2011000095-A1 MULTIMERIC PEPTIDE CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2011-01-06 WO disclosed