SCHEMBL28628148

SCHEMBL28628148

NC(=O)c1cc(N)c(NCC=CCNC(=O)O)c(OC2CCOC2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.41
PDE4A P27815 10/20 0.41
PDE4B Q07343 10/20 0.41
PDE4C Q08493 10/20 0.41
STING1 Q86WV6 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL28628145 1.00 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CSTING1
SCHEMBL21158117 0.87 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CSTING1
SCHEMBL28628473 0.87 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CSTING1
SCHEMBL28628474 0.87 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CSTING1
SCHEMBL21158773 0.81 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CMAPK8
SCHEMBL21158094 0.79 STING1 (0.36) PDE4BSTING1
SCHEMBL19437548 0.78 HTT (0.38) STING1
SCHEMBL19437549 0.78 HTT (0.38) STING1
SCHEMBL21158910 0.74 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CF2
SCHEMBL21643823 0.73 MAPT (0.32)

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-110016025-B Immunomodulator 成都先导药物开发股份有限公司 2021-08-06 CN disclosed