SCHEMBL8199036

SCHEMBL8199036

CC(C)(C)OC(=O)N1CCCC1(O)CO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
CTSK P43235 1/20 0.40
JAK3 P52333 2/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1H2 P55055 1/20 0.36
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
EPHX1 P07099 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NAMPT P43490 1/20 0.32

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
SCHEMBL4247705 0.95 JAK3 (0.39) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL15425362 0.81 GRIN2B (0.41) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL705582 0.81 GRIN2B (0.41) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL8950858 0.81 GRIN2B (0.41) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL9580752 0.80 L3MBTL1 (0.37) SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL14669188 0.80 JAK3 (0.45) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL28389036 0.79 GRIN2B (0.40) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL28858349 0.79 GRIN2B (0.40) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL70812 0.79 GRIN2B (0.40) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL28389038 0.79 GRIN2B (0.40) GRIN2BGRIN2CCTSKJAK3USP2

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-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO disclosed