SCHEMBL7735698

SCHEMBL7735698

COc1ccc(Cc2nc3cc(Cl)cc(CC=NOC(N)=O)c3o2)cc1OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.41
PDE4D Q08499 6/20 0.41
MAPK14 Q16539 1/20 0.41
PDE4A P27815 8/20 0.38
PDE4C Q08493 5/20 0.38
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
STAT3 P40763 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
Carbamic Acid SCHEMBL7735694 0.91 PDE4A (0.39) PDE4BPDE4DMAPK14PDE4APDE4C
Carbamic Acid SCHEMBL7735701 0.91 PDE4A (0.39) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL7724878 0.90 PDE4A (0.40) PDE4BPDE4DPDE4APDE4C
SCHEMBL7724881 0.90 PDE4A (0.40) PDE4BPDE4DPDE4APDE4C
SCHEMBL7733965 0.88 PDE4B (0.41) PDE4BPDE4DPDE4APDE4C
SCHEMBL7725341 0.87 PDE4B (0.40) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL7734722 0.86 PDE4A (0.41) PDE4BPDE4DPDE4APDE4C
SCHEMBL7735374 0.86 PDE4B (0.39) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL7733932 0.85 PDE4A (0.42) PDE4BPDE4DPDE4APDE4CMEN1
Carbamic Acid SCHEMBL7735372 0.85 PDE4A (0.40) PDE4BPDE4DPDE4APDE4C

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
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US claimed