SCHEMBL23480429

SCHEMBL23480429

COc1cc2sc(C(=O)CCC(=O)O)cc2cc1OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 13/20 0.76
ACHE P22303 7/20 0.60

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
SCHEMBL21452762 0.92 STING1 (0.70) STING1ACHE
SCHEMBL23480427 0.92 STING1 (0.70) STING1ACHE
SCHEMBL23480424 0.89 STING1 (0.60) STING1ACHE
SCHEMBL28487042 0.87 STING1 (0.69) STING1ACHE
SCHEMBL30417131 0.87 SRD5A1 (0.57) STING1ACHE
SCHEMBL21405928 0.87 SRD5A1 (0.57) STING1ACHE
SCHEMBL23480428 0.87 SRD5A1 (0.57) STING1ACHE
SCHEMBL30449069 0.87 SRD5A1 (0.57) STING1ACHE
SCHEMBL29362434 0.87 STING1 (1.00) STING1ACHE
SCHEMBL9208326 0.87 STING1 (1.00) 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