SCHEMBL20049554

SCHEMBL20049554

CCOC(=O)CCC(=O)c1cc2cc(OCC)c(O)cc2s1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 18/20 0.65
ACHE P22303 2/20 0.42

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
SCHEMBL20022332 0.90 STING1 (0.76) STING1ACHE
SCHEMBL29976155 0.86 STING1 (0.64) STING1ACHE
SCHEMBL25693866 0.86 STING1 (0.64) STING1ACHE
SCHEMBL24450978 0.85 STING1 (0.76) STING1ACHE
SCHEMBL29975965 0.85 STING1 (0.76) STING1ACHE
SCHEMBL30666369 0.84 STING1 (0.74) STING1
SCHEMBL25280963 0.84 STING1 (0.74) STING1
SCHEMBL20022337 0.83 STING1 (0.81) STING1ACHE
SCHEMBL30820009 0.83 STING1 (0.81) STING1ACHE
SCHEMBL10646593 0.81 GPR35 (0.61) 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-2018067423-A1 BENZO[b]THIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-12 WO disclosed