SCHEMBL8660211

SCHEMBL8660211

CCOP(=O)(CC)OCCCCn1c(=O)c2c(ncn2CCOC)n(CC)c1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.54
ADORA2A P29274 8/20 0.54
PDE4B Q07343 8/20 0.54
PDE4C Q08493 8/20 0.54
PDE4D Q08499 8/20 0.54
ADORA2B P29275 5/20 0.54
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
ACHE P22303 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
POLB P06746 1/20 0.40
CNOT7 Q9UIV1 1/20 0.40

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
SCHEMBL8658574 0.93 PDE4A (0.50) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8661863 0.92 PDE4A (0.49) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8656403 0.91 ADORA2B (0.55) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8660068 0.90 ADORA2B (0.54) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL7462948 0.90 PDE4A (0.56) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8657245 0.89 ADORA2A (0.45) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8657289 0.89 ADORA2A (0.55) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8660222 0.88 ADORA2B (0.56) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8658804 0.88 ADORA2A (0.54) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8660141 0.87 ADORA2B (0.53) PDE4AADORA2APDE4BPDE4CPDE4D

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-5728686-A TREATMENT OF MUSCULAR DYSTROPHY HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed