SCHEMBL21765482

SCHEMBL21765482

NOC(CCC(ON)C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 4/20 0.50
PSAT1 Q9Y617 2/20 0.44
TSHR P16473 1/20 0.35
CTH P32929 1/20 0.35
CBS P35520 1/20 0.35
THPO P40225 1/20 0.35
GABRR1 P24046 2/20 0.35
GSR P00390 2/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CYP1A2 P05177 1/20 0.35
GRIK1 P39086 1/20 0.35
GRM5 P41594 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 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
SCHEMBL10858175 0.87
SCHEMBL7428798 0.85
SCHEMBL21765465 0.80
SCHEMBL9847060 0.79 GPR84 (0.50) GRIK1SLC1A2SLC1A1GRIK2
SCHEMBL9594717 0.79 SRR (0.40) SRRPSAT1GABRR1KMT2APTGS1
SCHEMBL9551188 0.78 SRR (0.47) SRRPSAT1TSHRCTHCBS
SCHEMBL7253641 0.78
Hydrochloric Acid SCHEMBL9668711 0.76
SCHEMBL3396012 0.75 SRR (0.68) SRRPSAT1GRIK1
SCHEMBL11789757 0.74 LAP3 (0.52) SRRPSAT1SLC1A3SLC1A2ADRA1A

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
US-20200061225-A1 ALDEHYDE SCAVENGER AND METHOD FOR REMOVING ALDEHYDES TOSOH CORPORATION (JP) 2020-02-27 US disclosed