SCHEMBL11042403

SCHEMBL11042403

CCNC(=O)Oc1cc(OC(=O)NCC)cc(C(=O)CBr)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.41
ACHE P22303 1/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPN1 P18031 1/20 0.37
MGLL Q99685 2/20 0.36

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
SCHEMBL11045668 0.81 ACHE (0.42) ACHEKMT2AKDM4EMEN1POLB
SCHEMBL6197131 0.78 GSK3B (0.47) GSK3BKMT2AKDM4EMEN1MAPT
SCHEMBL28016020 0.78 KMT2A (0.49) ACHEKMT2AKDM4EMEN1POLB
SCHEMBL5050018 0.74 GSK3B (0.47) GSK3BKMT2AKDM4EMEN1L3MBTL1
SCHEMBL11473797 0.74 ACHE (0.43) ACHEKMT2AKDM4EMEN1POLB
SCHEMBL11105265 0.73 ELANE (0.47) GSK3BPTPN1
Cyclopentane SCHEMBL11108749 0.73 GSK3B (0.43) GSK3BKMT2AKDM4EMEN1POLB
SCHEMBL333513 0.73 GSK3B (0.66) GSK3BKMT2AKDM4EPOLBGAA
SCHEMBL28067899 0.73 CYP4F2 (0.45) ACHEKMT2AKDM4EMEN1POLB
SCHEMBL28644582 0.71 ACHE (0.45) ACHEKMT2AKDM4EMEN1POLB

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-0043807-B1 1-(DIHYDROXYPHENYL)-2-AMINO-ETHANOL DERIVATIVES; PREPARATION, COMPOSITIONS AND INTERMEDIATES Aktiebolaget Draco (SE) 1984-05-30 EP disclosed
US-4451663-A TERBUTALINE DERIVATIVES OF LONG DURATION AN REDUCED SIDE EFFECTS AKTIEBOLAGET DRACO (SE) 1984-05-29 US disclosed
US-4419364-A Bronchospasmolytic carbamate derivatives AKTIEBOLAGET DRACO (SE) 1983-12-06 US disclosed
EP-0043807-A2 1-(Dihydroxyphenyl)-2-amino-ethanol derivatives; preparation, compositions and intermediates Aktiebolaget Draco (SE) 1982-01-13 EP disclosed