SCHEMBL21452800

SCHEMBL21452800

COc1cc2cc(C(=O)CCC(=O)O)sc2cc1OCCOc1ccc2sc(C(=O)CCC(=O)O)cc2c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 17/20 0.72
ACHE P22303 3/20 0.51

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
SCHEMBL21406263 1.00 STING1 (0.72) STING1ACHE
SCHEMBL21452709 0.97 STING1 (0.71) STING1ACHE
SCHEMBL31496300 0.92 STING1 (0.66) STING1
SCHEMBL21406100 0.92 STING1 (0.66) STING1
SCHEMBL21406196 0.92 STING1 (0.66) STING1
SCHEMBL21406198 0.92 STING1 (0.66) STING1
SCHEMBL21406097 0.92 STING1 (0.66) STING1
SCHEMBL21422923 0.91 STING1 (0.87) STING1ACHE
SCHEMBL21452708 0.91 STING1 (0.71) STING1ACHE
SCHEMBL31496302 0.89 STING1 (0.65) 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-2019195124-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-10-10 WO disclosed