SCHEMBL16667253

SCHEMBL16667253

CCC(CC)N(C(=O)OC(C)(C)C)S(=O)(=O)c1cc2cc(OCCCCCl)c(OCCCCCl)cc2s1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.35

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
SCHEMBL16667251 0.84 STING1 (0.35) STING1
SCHEMBL3480885 0.81 STING1 (0.32) STING1
SCHEMBL3480882 0.80 STING1 (0.32) STING1
SCHEMBL3480176 0.77 STING1 (0.33) STING1
SCHEMBL3480173 0.77 STING1 (0.32) STING1
SCHEMBL14931250 0.76 STING1 (0.34) STING1
SCHEMBL3480895 0.71 CA2 (0.44)
SCHEMBL3480789 0.70 CA2 (0.43)
SCHEMBL3480855 0.70 CA2 (0.43)
SCHEMBL3480238 0.70 FBP1 (0.35) 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
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed