SCHEMBL8625576

SCHEMBL8625576

C=CCOC(=O)NC(C)C=C(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CASP1 P29466 12/20 0.38
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
Dimethylamine SCHEMBL28934032 0.79 SMN1; SMN2 (0.38) ALDH1A1KMT2A
SCHEMBL8781902 0.78 TDP1 (0.42) ALDH1A1CASP1MAPTTDP1MEN1
SCHEMBL6688614 0.77 ALDH1A1 (0.42) ALDH1A1
SCHEMBL8869145 0.76 CASP1 (0.43) ALDH1A1CASP1MAPTTDP1MEN1
SCHEMBL10882651 0.76 CASP1 (0.43) ALDH1A1CASP1MAPTTDP1MEN1
SCHEMBL991835 0.76 CASP1 (0.43) ALDH1A1CASP1MAPTTDP1MEN1
SCHEMBL1282757 0.76 TSHR (0.45) ALDH1A1CASP1MAPTTDP1MEN1
SCHEMBL2006527 0.74 TDP1 (0.42) ALDH1A1CASP1MAPTTDP1MEN1
SCHEMBL18328212 0.73 MAPT (0.41) ALDH1A1CASP1MAPTTDP1MEN1
SCHEMBL23482824 0.73 ALDH1A1 (0.39) ALDH1A1CASP1MAPT

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-0695331-B1 THERMOPLASTIC ELASTOMERS LANDEC CORP (US) 1999-08-25 EP disclosed