SCHEMBL7420904

SCHEMBL7420904

CCc1ncccc1-c1cc(OC2CCCC2)c(OC)cc1-c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.53
PDE4D Q08499 11/20 0.49
PDE4B Q07343 5/20 0.45
PDE4C Q08493 4/20 0.45
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
CYP19A1 P11511 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CTSD P07339 1/20 0.42
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 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
SCHEMBL7420901 0.85 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CMKNK1
SCHEMBL7427953 0.84 PDE4D (0.44) PDE4APDE4DPDE4BPDE4C
SCHEMBL7427352 0.82 PDE4D (0.46) PDE4APDE4DPDE4BPDE4C
SCHEMBL7426462 0.79 MEN1 (0.47) PDE4APDE4DPDE4BPDE4C
SCHEMBL7420906 0.79 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CMKNK1
SCHEMBL7421486 0.77 PDE4D (0.44) PDE4APDE4DPDE4BPDE4C
SCHEMBL6883325 0.76 PDE4A (0.53) PDE4APDE4DPDE4BPDE4CMKNK1
Hydrochloric Acid SCHEMBL8203396 0.73 PDE4A (0.77) PDE4APDE4DPDE4BPDE4CMKNK1
SCHEMBL27483513 0.73 CYP2A6 (0.50) MKNK1MKNK2CYP19A1CYP11B1CYP11B2
SCHEMBL7427950 0.69 PDE4D (0.46) PDE4APDE4DPDE4BPDE4C

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-5780478-A Tetra-substituted phenyl derivatives CELLTECH THERAPEUTICS, LIMITED (GB) 1998-07-14 US disclosed