SCHEMBL28243124

SCHEMBL28243124

CCOC(=O)C(=C[Ta])C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.52
GLO1 Q04760 1/20 0.52
ALDH1A1 P00352 4/20 0.50
CYP2D6 P10635 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
MAPK1 P28482 1/20 0.41
DHODH Q02127 3/20 0.40
EGLN1 Q9GZT9 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL2474497 0.82 NPSR1 (0.56) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL2049259 0.80 NPSR1 (0.54) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL13304509 0.80 NPSR1 (0.54) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL10986214 0.78 NPSR1 (0.52) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL10780939 0.78 NPSR1 (0.52) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL9063185 0.78 NPSR1 (0.57) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL296438 0.77 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL12180594 0.77 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL29130436 0.77 NPSR1 (0.80) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1369380 0.77 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2

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
CN-108602844-A Metal composition and method for producing the same 普拉奥有限责任公司 2018-09-28 CN disclosed