SCHEMBL9816042

SCHEMBL9816042

C=CCN(CC1CO1)C(=O)PC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL10703734 0.81 ALDH1A1 (0.40) ALDH1A1MAPTNPSR1
SCHEMBL334951 0.80 ALDH1A1 (0.38) ALDH1A1MAPTSLC6A2SLC6A4NPSR1
SCHEMBL335201 0.80 ALDH1A1 (0.38) ALDH1A1MAPTSLC6A2SLC6A4NPSR1
SCHEMBL10707191 0.79 ALDH1A1 (0.39) ALDH1A1MAPTSLC6A2SLC6A4NPSR1
SCHEMBL9816043 0.78 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1
SCHEMBL10704022 0.78 ALDH1A1 (0.37) ALDH1A1MAPT
SCHEMBL6567358 0.77 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1
SCHEMBL28098070 0.73 ALOX5 (0.34) ALDH1A1MAPTNPSR1
SCHEMBL11160009 0.72 TP53 (0.35) ALDH1A1
SCHEMBL11161706 0.71 TSHR (0.45) ALDH1A1MAPTSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5068426-A Purification by complexing and decomplexing in a solvent and dissolving to regenerate AKZO N.V. (NL) 1991-11-26 US claimed
EP-0404250-A2 Preparation of N,N-dialkylcarbamoylmethylphosphine oxide AKZO N.V. (NL) 1990-12-27 EP claimed
US-5068426-A Purification by complexing and decomplexing in a solvent and dissolving to regenerate AKZO N.V. (NL) 1991-11-26 US disclosed
US-5068426-A Purification by complexing and decomplexing in a solvent and dissolving to regenerate AKZO N.V. (NL) 1991-11-26 US disclosed
US-5068426-A Purification by complexing and decomplexing in a solvent and dissolving to regenerate AKZO N.V. (NL) 1991-11-26 US disclosed
EP-0404250-A3 PREPARATION OF N,N-DIALKYLCARBAMOYLMETHYLPHOSPHINE OXIDE AKZO N.V. (NL) 1991-10-02 EP disclosed
EP-0404250-A2 Preparation of N,N-dialkylcarbamoylmethylphosphine oxide AKZO N.V. (NL) 1990-12-27 EP disclosed
EP-0404250-A2 Preparation of N,N-dialkylcarbamoylmethylphosphine oxide AKZO N.V. (NL) 1990-12-27 EP disclosed
EP-0404250-A2 Preparation of N,N-dialkylcarbamoylmethylphosphine oxide AKZO N.V. (NL) 1990-12-27 EP disclosed