SCHEMBL30820012

SCHEMBL30820012

CCOC(=O)CCC(=O)c1cc2cc(OC)c(OCCCOc3cc4cc(C(=O)N(C)CCC(=O)OCC)sc4cc3OC)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 13/20 0.60
▸ ACHE P22303 7/20 0.46

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
SCHEMBL24451324 1.00 STING1 (0.60) STING1ACHE
SCHEMBL30820030 1.00 STING1 (0.60) STING1ACHE
SCHEMBL29465894 1.00 STING1 (0.60) STING1ACHE
SCHEMBL24451286 1.00 STING1 (0.60) STING1ACHE
SCHEMBL30820000 1.00 STING1 (0.60) STING1ACHE
SCHEMBL24451316 1.00 STING1 (0.60) STING1ACHE
SCHEMBL24451323 1.00 STING1 (0.60) STING1ACHE
SCHEMBL28649837 0.96 STING1 (0.61) STING1ACHE
SCHEMBL28645082 0.96 STING1 (0.61) STING1ACHE
SCHEMBL28657939 0.96 STING1 (0.61) 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
CN-113518776-B Benzothiophene compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-03-26 — — CN disclosed
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