SCHEMBL8550668

SCHEMBL8550668

CCOC(=O)c1nccc2c(C)c3c(cc12)c1cc(OC)ccc1n3CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.47
ELANE P08246 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.45
MAPT P10636 4/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HASPIN Q8TF76 1/20 0.43
DYRK2 Q92630 1/20 0.43
NPC1 O15118 2/20 0.43
NLRP3 Q96P20 1/20 0.43
GRIK2 Q13002 2/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
PTGER4 P35408 1/20 0.42
GRIK1 P39086 1/20 0.42
ALOX15 P16050 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 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
SCHEMBL29445183 0.89 BCHE (0.54) DYRK1AELANEKDM4EATMMAPT
SCHEMBL9089933 0.89 BCHE (0.54) DYRK1AELANEKDM4EATMMAPT
SCHEMBL8548702 0.88 LMNA (0.45) ELANEKDM4EMAPTTSHRSMN1; SMN2
SCHEMBL7840124 0.77 GABRA1 (0.41) ELANEKDM4EMAPTTSHRSMN1; SMN2
SCHEMBL8545879 0.76 GAA (0.47) ELANEKDM4ETSHRSMN1; SMN2ALOX15
SCHEMBL29445130 0.76 BCHE (0.58) DYRK1AKDM4EMAPTTSHRSMN1; SMN2
SCHEMBL8546738 0.76 BCHE (0.58) DYRK1AKDM4EMAPTTSHRSMN1; SMN2
SCHEMBL29445100 0.76 KDM4E (0.58) DYRK1AKDM4EMAPTTSHRNPC1
SCHEMBL9090021 0.76 KDM4E (0.58) DYRK1AKDM4EMAPTTSHRNPC1
Dimethylamine SCHEMBL8546919 0.74 BCHE (0.51) DYRK1AKDM4EMAPTHASPINDYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591058-B1 Ellipticine derivatives with antitumor activity ADIR (FR) 1998-06-03 EP disclosed
US-5498611-A ANTITUMOR AGENTS ADIR ET COMPAGNIE (FR) 1996-03-12 US disclosed
US-5407940-A Antitumor agents ADIR ET COMPAGNIE (FR) 1995-04-18 US disclosed
EP-0591058-A1 Ellipticine derivatives with antitumor activity ADIR ET COMPAGNIE (FR) 1994-04-06 EP disclosed