SCHEMBL9816043

SCHEMBL9816043

C=CCN(CC=C)C(=O)PC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.35
DPP4 P27487 1/20 0.35
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL9816042 0.78 ALDH1A1 (0.34) ALDH1A1MAPTNPSR1
SCHEMBL3258454 0.74 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2DPP4MAPTPOLB
SCHEMBL11616346 0.72 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2DPP4MAPTPOLB
SCHEMBL173228 0.72 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2DPP4MAPTPOLB
SCHEMBL13786 0.71 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2DPP4MAPTPOLB
SCHEMBL569156 0.71 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2DPP4MAPTPOLB
SCHEMBL88005 0.69 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2DPP4MAPTPOLB
SCHEMBL88004 0.69 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2DPP4MAPTPOLB
SCHEMBL8474273 0.68 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2DPP4MAPTPOLB
SCHEMBL3840012 0.68

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-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