SCHEMBL19746544

SCHEMBL19746544

C=CC1(CC(=O)OCC)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
ADORA1 P30542 1/20 0.37
KMT2A Q03164 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NR1H2 P55055 1/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
EPHX2 P34913 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
SCHEMBL19746780 0.83 USP2 (0.41) SMN1; SMN2USP2NR1H2HPGDEPHX2
SCHEMBL23326750 0.83 KMT2A (0.42) SMN1; SMN2USP2ADORA1KMT2AL3MBTL1
SCHEMBL24906856 0.81 KMT2A (0.40) SMN1; SMN2USP2ADORA1KMT2AL3MBTL1
SCHEMBL980372 0.80 ADORA1 (0.39) SMN1; SMN2USP2ADORA1KMT2AL3MBTL1
SCHEMBL18497293 0.80 KMT2A (0.39) SMN1; SMN2USP2ADORA1KMT2AL3MBTL1
SCHEMBL31088801 0.80 SMN1; SMN2 (0.40) SMN1; SMN2USP2ADORA1KMT2AL3MBTL1
SCHEMBL22655647 0.78 L3MBTL1 (0.39) SMN1; SMN2USP2ADORA1KMT2AL3MBTL1
SCHEMBL18044513 0.78 SMN1; SMN2 (0.43) SMN1; SMN2USP2ADORA1KMT2AL3MBTL1
SCHEMBL34473910 0.77 KMT2A (0.37) SMN1; SMN2USP2ADORA1KMT2AL3MBTL1
SCHEMBL30722411 0.77 ADORA1 (0.37) SMN1; SMN2USP2ADORA1KMT2AL3MBTL1

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
WO-2017223349-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2017-12-28 WO disclosed