SCHEMBL27617543

SCHEMBL27617543

NCc1ccc(CC(C=O)c2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACACB O00763 1/20 0.40
PIK3CA P42336 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PRKDC P78527 1/20 0.38
TSHR P16473 1/20 0.38
AGXT P21549 1/20 0.37
LMNA P02545 3/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL27636799 0.86 LMNA (0.47) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA
SCHEMBL39888 0.80 LMNA (0.52) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA
SCHEMBL27617542 0.79 ACACB (0.46) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA
SCHEMBL30379425 0.77 CYP17A1 (0.46) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA
SCHEMBL27811258 0.77 GSK3B (0.49) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA
SCHEMBL5527912 0.75 ACACB (0.51) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA
SCHEMBL28260170 0.74 LOXL2 (0.45) MEN1KMT2A
SCHEMBL2351767 0.74 AGXT (0.46) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA
SCHEMBL27777300 0.72 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA
SCHEMBL6383636 0.72 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100430385-C Compound for improving storage stability of photoinitiator and application thereof CIBA SC HOLDING AG (CH) 2008-11-05 CN disclosed
CN-1708488-A Improvement of storage stability of photoinitiators CIBA SC HOLDING AG (CH) 2005-12-14 CN disclosed