SCHEMBL28059322

SCHEMBL28059322

CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.52
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
GPR119 Q8TDV5 4/20 0.47
PIK3CD O00329 4/20 0.44
KDM1A O60341 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
GHSR Q92847 1/20 0.42
PDE4B Q07343 1/20 0.42

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
SCHEMBL1031264 1.00 USP30 (0.52) USP30SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL8247003 1.00 USP30 (0.52) USP30SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL2481879 0.94 GPR119 (0.53) USP30SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL29796085 0.94 GPR119 (0.53) USP30SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL28059263 0.91 SLC6A2 (0.49) USP30SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL596200 0.87 ALDH1A1 (0.57) USP30ALDH1A1MAPTLMNAGPR119
SCHEMBL596199 0.87 ALDH1A1 (0.57) USP30ALDH1A1MAPTLMNAGPR119
SCHEMBL15377781 0.87 ALDH1A1 (0.57) USP30ALDH1A1MAPTLMNAGPR119
SCHEMBL4707629 0.84 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL22735334 0.84 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT

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-105384695-A Pyrimidine derivative, preparation method therefor and application thereof in medicine SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-03-09 CN disclosed