SCHEMBL21452712

SCHEMBL21452712

COC(=O)CCC(=O)c1cc2cc(OCCCOc3cc4cc(C(=O)C[C@H](C)C(=O)OC)sc4cc3OC)c(OC)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 20/20 0.61

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
SCHEMBL21452711 1.00 STING1 (0.61) STING1
SCHEMBL21422905 0.94 STING1 (0.69) STING1
SCHEMBL22503428 0.94 STING1 (0.69) STING1
SCHEMBL21422911 0.94 STING1 (0.69) STING1
SCHEMBL21422992 0.93 STING1 (0.53) STING1
SCHEMBL21422998 0.91 STING1 (0.70) STING1
SCHEMBL21406444 0.90 STING1 (0.77) STING1
SCHEMBL21406443 0.90 STING1 (0.77) STING1
SCHEMBL21422860 0.89 STING1 (0.65) STING1
SCHEMBL21406286 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
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