SCHEMBL9683450

SCHEMBL9683450

c1ccc(COc2ccnc(CNCCNCCNCc3nccc(OCc4ccccc4)c3OCc3ccccc3)c2OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
HTR1A P08908 8/20 0.45
ADRA1D P25100 8/20 0.45
ADRA1A P35348 8/20 0.45
ADRA1B P35368 8/20 0.45
BCHE P06276 5/20 0.43
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
SLC2A1 P11166 1/20 0.41
LTA4H P09960 1/20 0.41
MAPK14 Q16539 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9681836 0.99 LMNA (0.47) LMNAHTR1AADRA1DADRA1AADRA1B
SCHEMBL9281183 0.91 BCHE (0.55) LMNAHTR1AADRA1DADRA1AADRA1B
SCHEMBL4898090 0.79 LTA4H (0.45) LMNAHTR1AKDM4EL3MBTL1LTA4H
SCHEMBL9654512 0.79 LTA4H (0.45) LMNAHTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9683438 0.78 LTA4H (0.44) LMNAHTR1AADRA1DADRA1AADRA1B
SCHEMBL9701005 0.76 HTR1A (0.38) LMNAHTR1AADRA1DADRA1AADRA1B
SCHEMBL7720531 0.73 LTA4H (0.49) LMNAHTR1AL3MBTL1ALDH1A1LTA4H
SCHEMBL9682277 0.73 HTR1A (0.42) LMNAHTR1AADRA1DADRA1AADRA1B
SCHEMBL9703675 0.72 LTA4H (0.42) HTR1AKDM4EL3MBTL1ALDH1A1POLB
SCHEMBL4891121 0.72 ALDH1A1 (0.55) LMNAKDM4EL3MBTL1ALDH1A1TDP1

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
EP-0498380-A1 Complexing agents BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-12 EP disclosed