SCHEMBL9823913

SCHEMBL9823913

CCC1(C)CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 1/20 0.52
SCN2A Q99250 1/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.45
BCL2A1 Q16548 1/20 0.44
LMNA P02545 1/20 0.43
CNR1 P21554 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 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
SCHEMBL1935538 0.85 HPN (0.59) HPNALDH1A1KDM4ETSHRSCN2A
SCHEMBL9824170 0.84 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRSCN2AMEN1
SCHEMBL9824244 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL10854270 0.74 HPN (0.68) HPNALDH1A1KDM4ETSHRSCN2A
SCHEMBL11120544 0.72 KMT2A (0.63) HPNALDH1A1KDM4ESCN2AMEN1
SCHEMBL6140131 0.72 HPN (0.64) HPNALDH1A1KDM4ETSHRSCN2A
SCHEMBL9824921 0.72 KDM4E (0.58) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL10429499 0.70 MAPT (0.62) HPNALDH1A1KDM4ESCN2AMEN1
SCHEMBL11273574 0.70 HPN (0.57) HPNALDH1A1KDM4ETSHRSCN2A
SCHEMBL3868871 0.70 HPN (0.60) HPNALDH1A1KDM4ETSHRSCN2A

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
EP-0199963-B1 ETHOSUXIMIDE ASSAY TRACERS, IMMUNOGENS AND ANTIBODIES ABBOTT LABORATORIES (US) 1991-10-23 EP disclosed
EP-0199963-A1 Ethosuximide assay tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1986-11-05 EP disclosed
US-4400202-A N-m-Phenyl glutarimide derivatives and their use as herbicides STAUFFER CHEMICAL COMPANY (US) 1983-08-23 US disclosed