SCHEMBL28487133

SCHEMBL28487133

COc1ccc(C2CC2)cc1OC(=O)C1CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.60
PDE4A P27815 7/20 0.60
PDE4C Q08493 5/20 0.60
PDE4D Q08499 5/20 0.60
HPGD P15428 2/20 0.48
QDPR P09417 2/20 0.47
NR3C1 P04150 1/20 0.46
POLB P06746 1/20 0.45
HIF1A Q16665 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
SCHEMBL28479794 0.94 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL28486348 0.91 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL28491678 0.89 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL28481675 0.81 PDE4B (0.55) PDE4BHPGDPOLB
SCHEMBL28478306 0.81 CA12 (0.53) PDE4BHPGDPOLB
SCHEMBL28901969 0.80 PDE4B (0.51) PDE4BHPGDPOLB
SCHEMBL1494013 0.80 NR3C1 (0.64) PDE4BPDE4APDE4CPDE4DQDPR
Ammonia Solution, Strong SCHEMBL7288975 0.78 NR3C1 (0.62) PDE4BPDE4APDE4CPDE4DQDPR
SCHEMBL28478130 0.78 PDE4B (0.49) PDE4BHPGDPOLBHIF1A
SCHEMBL28489873 0.78 ALDH1A1 (0.51) PDE4BHPGDPOLB

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
CN-111954664-A Cystic fibrosis transmembrane conductance regulator and methods of use 艾伯维海外有限公司 2020-11-17 CN disclosed