SCHEMBL23480237

SCHEMBL23480237

COc1cc2cc(C(=O)CCC(=O)O)sc2cc1-c1ccc(C(=O)O)cc1-c1cc2sc(C(=O)CCC(=O)O)cc2cc1OC

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.67
ACHE P22303 1/20 0.47

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
SCHEMBL23480239 0.88 STING1 (0.68) STING1ACHE
SCHEMBL23480354 0.88 STING1 (0.74) STING1ACHE
SCHEMBL23480355 0.87 STING1 (0.67) STING1ACHE
SCHEMBL23480240 0.85 STING1 (0.74) STING1
SCHEMBL9208326 0.81 STING1 (1.00) STING1ACHE
SCHEMBL29362434 0.81 STING1 (1.00) STING1ACHE
SCHEMBL23480236 0.80 STING1 (0.67) STING1
SCHEMBL20022244 0.79 STING1 (0.80) STING1
SCHEMBL23480339 0.79 STING1 (0.64) STING1ACHE
SCHEMBL22567010 0.78 STING1 (0.82) 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-2021113679-A1 DIMERIC COMPOUNDS AS STING AGONISTS MERSANA THERAPEUTICS, INC. (US) 2021-06-10 WO disclosed