SCHEMBL21158094

SCHEMBL21158094

CC(C)(C)OC(=O)NC/C=C/CNc1c(N)cc(C(N)=O)cc1OC1COC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.36
PDE4B Q07343 1/20 0.32
HCRTR2 O43614 1/20 0.31

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
SCHEMBL21158117 0.93 PDE4D (0.39) STING1PDE4B
SCHEMBL20889072 0.84 STING1 (0.45) STING1PDE4B
SCHEMBL29012734 0.84 STING1 (0.45) STING1PDE4B
SCHEMBL29406354 0.84 STING1 (0.45) STING1PDE4B
SCHEMBL21158189 0.82 STING1 (0.37) STING1PDE4B
SCHEMBL22121412 0.80 STING1 (0.38) STING1
SCHEMBL21643816 0.80 STING1 (0.39) STING1
SCHEMBL29436967 0.80 STING1 (0.39) STING1
SCHEMBL21158085 0.80 SERPINE1 (0.39) STING1
SCHEMBL23077453 0.79 STING1 (0.40) 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