SCHEMBL11045668

SCHEMBL11045668

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MGLL Q99685 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 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
SCHEMBL28805020 0.82 MAPT (0.52) ACHEKMT2APOLBGAAMAPT
SCHEMBL28016020 0.81 KMT2A (0.49) ACHEKMT2AMEN1KDM4EPOLB
SCHEMBL11042403 0.81 GSK3B (0.41) ACHEKMT2AMEN1KDM4EPOLB
SCHEMBL11473797 0.78 ACHE (0.43) ACHEKMT2AMEN1KDM4EPOLB
SCHEMBL28067899 0.76 CYP4F2 (0.45) ACHEKMT2AMEN1KDM4EPOLB
SCHEMBL11384931 0.76 KMT2A (0.52) ACHEKMT2AMEN1KDM4EMAPT
SCHEMBL28644582 0.75 ACHE (0.45) ACHEKMT2AMEN1KDM4EPOLB
SCHEMBL414964 0.74 LMNA (0.50) ACHEKMT2AMEN1KDM4EPOLB
SCHEMBL11376553 0.73 BCL9 (0.46) KMT2AKDM4EGAAMAPT
SCHEMBL11483381 0.72 KMT2A (0.47) ACHEKMT2AMEN1KDM4EPOLB

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