SCHEMBL29636403

SCHEMBL29636403

COC(=O)[C@@H](C)CC(=O)c1cc2cc(OC)c(Br)cc2s1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.80

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
SCHEMBL20022302 1.00 STING1 (0.80) STING1
SCHEMBL28904335 1.00 STING1 (0.80) STING1
SCHEMBL21405767 0.95 STING1 (0.80) STING1
SCHEMBL21405939 0.95 STING1 (0.80) STING1
SCHEMBL30416269 0.95 STING1 (0.80) STING1
SCHEMBL20022277 0.95 STING1 (0.80) STING1
SCHEMBL21406114 0.90 STING1 (0.79) STING1
SCHEMBL21406117 0.90 STING1 (0.79) STING1
SCHEMBL20022252 0.90 STING1 (0.79) STING1
SCHEMBL20022256 0.89 STING1 (1.00) 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
CN-110036001-B Benzo [ b ] thiophene compounds as STING agonists 默沙东公司 2022-03-22 CN disclosed