SCHEMBL45049

SCHEMBL45049

COc1ccc(CN2C(=O)C3CCCCC3C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
CMA1 P23946 1/20 0.60
GSK3A P49840 2/20 0.57
GSK3B P49841 2/20 0.57
PDE4A P27815 2/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
PDE4D Q08499 2/20 0.55
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CASP3 P42574 2/20 0.51
MAPT P10636 1/20 0.51
APAF1 O14727 1/20 0.50
GAA P10253 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50

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
SCHEMBL45048 1.00 ALDH1A1 (0.64) ALDH1A1CMA1GSK3AGSK3BPDE4A
SCHEMBL18205222 0.94 CMA1 (0.64) ALDH1A1CMA1GSK3AGSK3BKDM4E
SCHEMBL3704271 0.79 CMA1 (0.47) ALDH1A1CMA1GSK3AGSK3BKDM4E
SCHEMBL3699719 0.79 CMA1 (0.47) ALDH1A1CMA1GSK3AGSK3BKDM4E
SCHEMBL4527713 0.79 CMA1 (0.47) ALDH1A1CMA1GSK3AGSK3BKDM4E
SCHEMBL8383162 0.78 ALDH1A1 (1.00) ALDH1A1CMA1LMNAMEN1KMT2A
SCHEMBL8383160 0.78 ALDH1A1 (1.00) ALDH1A1CMA1LMNAMEN1KMT2A
SCHEMBL5449610 0.78 CMA1 (0.64) ALDH1A1CMA1GSK3AGSK3BKDM4E
SCHEMBL10552966 0.76 CMA1 (0.50) ALDH1A1CMA1GSK3AGSK3BKDM4E
SCHEMBL12686767 0.76 CMA1 (0.62) ALDH1A1CMA1GSK3AGSK3BKDM4E

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
WO-2012002913-A1 PROCESS OF FORMING A CYCLIC IMIDE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 WO disclosed