SCHEMBL29259233

SCHEMBL29259233

COc1ccc(C(=O)Cc2ccc(C(=O)NCC(=O)O)cc2)cc1OCC1CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.62
PDE4A P27815 7/20 0.62
PDE4C Q08493 7/20 0.62
PDE4D Q08499 7/20 0.62
NR1H4 Q96RI1 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45

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
SCHEMBL30601064 1.00 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DNR1H4
SCHEMBL29259815 0.92 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL28334000 0.82 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DITGB3
SCHEMBL30601073 0.81 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL28325708 0.81 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL28324553 0.81 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL28325671 0.81 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL28333735 0.80 PDE4B (0.69) PDE4BPDE4APDE4CPDE4D
SCHEMBL30601065 0.79 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL28324549 0.79 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D

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-110305072-B Compounds with phosphodiesterase 4D and acid sphingomyelinase inhibitory activity and uses thereof 中国药科大学 2023-09-19 CN disclosed