SCHEMBL21158189

SCHEMBL21158189

CC(C)(C)OC(=O)NC/C=C/CNc1c(N)cc(C(N)=O)cc1OCC1CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.37
PDE4B Q07343 7/20 0.36
PDE4A P27815 5/20 0.36
PDE4C Q08493 5/20 0.36
PDE4D Q08499 5/20 0.36
CNR2 P34972 2/20 0.35
PARP15 Q460N3 3/20 0.35
PARP10 Q53GL7 3/20 0.35
PARP2 Q9UGN5 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
ACACB O00763 2/20 0.34
ACACA Q13085 2/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
TTK P33981 1/20 0.32

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
SCHEMBL20889072 0.85 STING1 (0.45) STING1PDE4BPDE4APDE4CPDE4D
SCHEMBL29012734 0.85 STING1 (0.45) STING1PDE4BPDE4APDE4CPDE4D
SCHEMBL29406354 0.85 STING1 (0.45) STING1PDE4BPDE4APDE4CPDE4D
SCHEMBL22121412 0.85 STING1 (0.38) STING1
SCHEMBL23077453 0.84 STING1 (0.40) STING1
SCHEMBL21158094 0.82 STING1 (0.36) STING1PDE4B
SCHEMBL28630481 0.81 PARP15 (0.38) STING1PDE4BPDE4APDE4CPDE4D
SCHEMBL21158117 0.81 PDE4D (0.39) STING1PDE4BPDE4APDE4CPDE4D
SCHEMBL24611698 0.81 STING1 (0.35) STING1
SCHEMBL23095443 0.81 STING1 (0.37) STING1

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
WO-2019134705-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2019-07-11 WO disclosed