SCHEMBL5634622

SCHEMBL5634622

CCC(=O)C(O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
GSK3B P49841 1/20 0.48
MAPT P10636 6/20 0.45
PRKDC P78527 1/20 0.44
HIF1A Q16665 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
AKR1C3 P42330 1/20 0.43
EPHX2 P34913 1/20 0.43
MEN1 O00255 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
SCHEMBL28456821 0.85 ALDH1A1 (0.51) ALDH1A1RAB9ALMNAPOLBGSK3B
SCHEMBL23094063 0.84 ALDH1A1 (0.47) ALDH1A1RAB9ALMNAPOLBGSK3B
SCHEMBL28121011 0.81 ALDH1A1 (0.48) ALDH1A1RAB9ALMNAPOLBGSK3B
SCHEMBL5316253 0.81 MAPT (0.48) ALDH1A1RAB9ALMNAPOLBGSK3B
SCHEMBL23053215 0.81 ALDH1A1 (0.49) ALDH1A1RAB9ALMNAGSK3BMAPT
SCHEMBL11061699 0.81 ALDH1A1 (0.49) ALDH1A1RAB9ALMNAGSK3BMAPT
SCHEMBL6258992 0.80 ALDH1A1 (0.41) ALDH1A1RAB9ALMNAPOLBMAPT
Benzoin SCHEMBL28129669 0.79 LMNA (0.45) ALDH1A1RAB9ALMNAPOLBMAPT
SCHEMBL22585545 0.78 CYP17A1 (0.49) ALDH1A1RAB9ALMNAPOLBGSK3B
SCHEMBL8546835 0.75 ALDH1A1 (0.52) ALDH1A1RAB9ALMNAGSK3BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291654-B2 Storage stability of photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-11-06 US disclosed
EP-1556365-B1 IMPROVEMENT IN THE STORAGE STABILITY OF PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2006-08-30 EP disclosed
US-20060100298-A1 Storage stability of photoinitiators IGM GROUP B.V. (NL) 2006-05-11 US disclosed
EP-1556365-A1 IMPROVEMENT IN THE STORAGE STABILITY OF PHOTOINITIATORS Ciba SC Holding AG (CH) 2005-07-27 EP disclosed
WO-2004037799-A1 IMPROVEMENT IN THE STORAGE STABILITY OF PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-05-06 WO disclosed