SCHEMBL28298439

SCHEMBL28298439

NC(CCC=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PRKDC P78527 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 2/20 0.40
GSK3B P49841 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL22500412 0.81 GSK3B (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL28115544 0.80 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4EALOX15
SCHEMBL21681914 0.79 ALDH1A1 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL5214166 0.79 ALDH1A1 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4527380 0.76 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2KDM4EALOX15
Hydrochloric Acid SCHEMBL7457255 0.75 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL28172856 0.73 ALDH1A1 (0.50) PRKDCALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL13680782 0.73 SLC13A5 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL6383636 0.73 ALDH1A1 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL6969768 0.72 MAPT (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-109957313-A A kind of Photocurable coating material formula and its application 长兴特殊材料(苏州)有限公司 2019-07-02 CN disclosed