SCHEMBL6479052

SCHEMBL6479052

CCn1c(=O)n(CCCCC(C)O)c(=O)c2[nH]c(=O)[nH]c21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.37
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
PDE9A O76083 1/20 0.34
ADORA2A P29274 2/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
SIRT5 Q9NXA8 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
SCHEMBL6479046 1.00 ADORA2B (0.37) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL6351111 0.87 TNF (0.36) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL6351110 0.87 TNF (0.36) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL28636619 0.72 ADORA2B (0.41) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL6346603 0.71 TNF (0.37) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL6346602 0.71 TNF (0.37) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL6355685 0.70 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL6355684 0.70 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL6189309 0.70 ADORA2B (0.49) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL14057491 0.70 LGMN (0.41) 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
US-6878715-B1 Therapeutic compounds for inhibiting interleukin-12 signals and method for using same CELL THERAPEUTICS, INC. (US) 2005-04-12 US disclosed