SCHEMBL30179073

SCHEMBL30179073

CCCCCOC(=O)[C@H](N)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
NOD1 Q9Y239 2/20 0.47
NAAA Q02083 1/20 0.46
HCAR2 Q8TDS4 2/20 0.44
GPR84 Q9NQS5 4/20 0.43
EPHX1 P07099 1/20 0.43
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
TSHR P16473 2/20 0.42
HTR2C P28335 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1644714 1.00 S1PR1 (0.49) S1PR1S1PR3NOD1NAAAHCAR2
SCHEMBL2981704 0.98 S1PR1 (0.51) S1PR1S1PR3NOD1NAAAHCAR2
SCHEMBL2974727 0.98 S1PR1 (0.51) S1PR1S1PR3NOD1NAAAHCAR2
SCHEMBL7781903 0.98 S1PR1 (0.51) S1PR1S1PR3NOD1NAAAHCAR2
SCHEMBL7775091 0.98 S1PR1 (0.51) S1PR1S1PR3NOD1NAAAHCAR2
SCHEMBL7918477 0.98 S1PR1 (0.51) S1PR1S1PR3NOD1NAAAHCAR2
SCHEMBL2988281 0.98 S1PR1 (0.51) S1PR1S1PR3NOD1NAAAHCAR2
SCHEMBL6710658 0.98 S1PR1 (0.48) S1PR1S1PR3NOD1NAAAHCAR2
SCHEMBL2983602 0.98 S1PR1 (0.51) S1PR1S1PR3NOD1NAAAHCAR2
SCHEMBL3456031 0.96 S1PR1 (0.50) S1PR1S1PR3NOD1NAAAHCAR2

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-110520195-B Novel nucleoside phosphonate prodrugs 勒芬天主教大学 2023-01-17 CN disclosed