SCHEMBL21452798

SCHEMBL21452798

COc1cc2sc(CCCC(=O)O)cc2cc1CCCOc1cc2cc(C(=O)CCC(=O)O)sc2cc1OC

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 18/20 0.72
▸ ACHE P22303 2/20 0.46

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
SCHEMBL21406187 0.93 STING1 (0.83) STING1ACHE
SCHEMBL21406146 0.93 STING1 (0.83) STING1ACHE
SCHEMBL21452722 0.92 STING1 (0.85) STING1ACHE
SCHEMBL21452813 0.89 STING1 (0.75) STING1ACHE
SCHEMBL21405822 0.86 STING1 (0.71) STING1ACHE
SCHEMBL23480315 0.86 STING1 (0.61) STING1ACHE
SCHEMBL21423020 0.85 STING1 (0.85) STING1ACHE
SCHEMBL21422972 0.85 STING1 (1.00) STING1ACHE
SCHEMBL21422930 0.85 STING1 (0.85) STING1ACHE
SCHEMBL21406151 0.85 STING1 (0.85) STING1ACHE

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-2019195124-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-10-10 — — WO disclosed
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