SCHEMBL23480339

SCHEMBL23480339

COc1cc2cc(C(=O)CCC(=O)O)sc2cc1-c1ccccc1-c1cc2sc(C(=O)CCC(=O)O)nc2cc1OC

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 16/20 0.64
ACHE P22303 3/20 0.46
ABL1 P00519 1/20 0.44

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
SCHEMBL23480293 0.92 STING1 (0.76) STING1ABL1
SCHEMBL23480354 0.90 STING1 (0.74) STING1ACHE
SCHEMBL23480393 0.83 STING1 (0.57) STING1ACHE
SCHEMBL23480318 0.82 STING1 (0.69) STING1ABL1
SCHEMBL23480392 0.81 STING1 (0.55) STING1ACHE
SCHEMBL23480246 0.81 STING1 (0.68) STING1ABL1
SCHEMBL21436936 0.79 STING1 (1.00) STING1
SCHEMBL23480239 0.79 STING1 (0.68) STING1ACHE
SCHEMBL23480240 0.79 STING1 (0.74) STING1
SCHEMBL23480355 0.79 STING1 (0.67) 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