SCHEMBL23480182

SCHEMBL23480182

COc1cc2cc(C(=O)CCC(=O)O)sc2cc1Cc1cccc(Cc2cc3sc(C(=O)CCC(=O)O)cc3cc2OC)c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 17/20 0.68
▸ ACHE P22303 3/20 0.53

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
SCHEMBL23480243 0.89 STING1 (0.71) STING1ACHE
SCHEMBL23480851 0.88 STING1 (0.67) STING1ACHE
SCHEMBL23480849 0.88 STING1 (0.67) STING1ACHE
SCHEMBL20049446 0.85 STING1 (0.80) STING1
SCHEMBL29362434 0.82 STING1 (1.00) STING1ACHE
SCHEMBL9208326 0.82 STING1 (1.00) STING1ACHE
SCHEMBL20022316 0.81 STING1 (1.00) STING1ACHE
SCHEMBL23480377 0.81 STING1 (0.73) STING1
SCHEMBL23480283 0.81 STING1 (0.73) STING1
SCHEMBL23480429 0.80 STING1 (0.76) 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-2021113679-A1 DIMERIC COMPOUNDS AS STING AGONISTS MERSANA THERAPEUTICS, INC. (US) 2021-06-10 — — WO disclosed
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