SCHEMBL28636619

SCHEMBL28636619

C=CC(C)CC.CCCCCn1c(=O)c2[nH]c(=O)[nH]c2n(CCCCC)c1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.41
PDE4A P27815 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
ADORA2A P29274 3/20 0.36
GALR3 O60755 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6189309 0.75 ADORA2B (0.49) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL6479052 0.72 ADORA2B (0.37) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL6479046 0.72 ADORA2B (0.37) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL13315967 0.70 ADORA2B (0.49) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL27474303 0.69 ADORA2B (0.41) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL6351110 0.66 TNF (0.36) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL6351111 0.66 TNF (0.36) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL925334 0.66 MAPK10 (0.50) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL923063 0.63 MAPK10 (0.47) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL7475421 0.63 ADORA2B (0.47) ADORA2BPDE4APDE4BPDE4CPDE4D

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-113473977-A Cannabidiol and/or derivatives thereof for use in the treatment of mitochondrial diseases 巴塞罗那自治大学 2021-10-01 CN disclosed