SCHEMBL7733975

SCHEMBL7733975

COc1ccc(Cc2nc3cccc(NC(=O)c4cccnc4)c3o2)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.49
PDE4A P27815 4/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE5A O76074 4/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL7734051 0.92 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CPDE5A
Hydrochloric Acid SCHEMBL7734781 0.91 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL6971404 0.86 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7725505 0.84 PDE4A (0.49) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL8325337 0.83 PDE4A (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL7735174 0.81 PDE5A (0.46) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL13350322 0.79 PDE4A (0.41) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7725503 0.78 PDE4A (0.45) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL8324871 0.78 PDE4A (0.46) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6974761 0.77 PDE4A (0.47) PDE4DPDE4APDE4BPDE4C

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 disclosed