SCHEMBL30439619

SCHEMBL30439619

CCO/C=C(/C(=O)CN(C)C)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
GLO1 Q04760 1/20 0.43
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
CYP2C9 P11712 2/20 0.37
MAPT P10636 6/20 0.35
LMNA P02545 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
DHODH Q02127 2/20 0.34
GAA P10253 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLIN1 O60240 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL19463280 1.00 NPSR1 (0.43) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL19463279 1.00 NPSR1 (0.43) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL20768132 0.82
SCHEMBL20768133 0.82
SCHEMBL8325843 0.82 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL10378125 0.82 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL8325844 0.82 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL50838 0.81 NPSR1 (0.56) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL7172751 0.79 NPSR1 (0.46) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL9298250 0.79 NPSR1 (0.46) 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
EP-3442974-B1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2023-06-07 EP disclosed