SCHEMBL27462425

SCHEMBL27462425

NCCC(=O)CC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL27655876 0.88 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL1011103 0.87 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL7350746 0.86 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL958928 0.85 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL13248936 0.85 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL38650674 0.85 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL4915672 0.85 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
Ethylene SCHEMBL11522069 0.85 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL7367924 0.84 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL21355005 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1160343-C Aminothiazole inhibitors of cyclin dependent protein kinasses of cells ����˹�ж�-����˹˹������˾ 2004-08-04 CN disclosed
CN-1433408-A Aminothiazole inhibitors of cyslin dependent kinases BRISTOL MYERS SQUIBB CO (US) 2003-07-30 CN disclosed
CN-1278806-A Aminothiazole inhibitors of cyclin dependent protein kinasses of cells BRISTOL MYERS SQUIBB CO (US) 2001-01-03 CN disclosed