SCHEMBL22423398

SCHEMBL22423398

CC(=O)c1cccc2nc(Oc3ccc(B4OC(C)(C)C(C)(C)O4)c(C=O)c3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.60
LIPE Q05469 7/20 0.36
PLA2G10 O15496 1/20 0.33
KDR P35968 2/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE7A Q13946 1/20 0.31

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
SCHEMBL24244600 0.94 PDE4B (0.58) PDE4BLIPEPLA2G10PDE1APDE1B
SCHEMBL23512882 0.91 PDE4B (0.61) PDE4BLIPEPLA2G10
SCHEMBL22423380 0.89 PDE4B (0.63) PDE4BLIPE
SCHEMBL11993071 0.84 PDE4B (0.39) PDE4BLIPE
SCHEMBL22423325 0.82 PDE4B (0.40) PDE4BLIPEPDE1APDE1BPDE7A
SCHEMBL25590231 0.78 LIPE (0.35) PDE4BLIPE
SCHEMBL11993097 0.77 NNMT (0.43) PDE4BLIPEPLA2G10
SCHEMBL2529401 0.77 PDE4B (0.40) PDE4BLIPE
SCHEMBL2529391 0.76 PDE4B (0.41) PDE4BLIPE
SCHEMBL2527658 0.76 F10 (0.40) PDE4BLIPEPLA2G10

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
EP-3708568-A1 COMPOUND CAPABLE OF INHIBITING PHOSPHODIESTERASE 4, PREPARATION METHOD, AND MEDICAL USE THEREOF Hefei Industrial Pharmaceutical Institute Co., Ltd (CN) 2020-09-16 EP disclosed