SCHEMBL30449280

SCHEMBL30449280

COC(=O)CC(=O)c1cc2cc(OCc3ccccc3)c(OC)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 11/20 0.62
▸ ACHE P22303 8/20 0.55
▸ SRD5A1 P18405 1/20 0.49
▸ SRD5A2 P31213 1/20 0.49

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
SCHEMBL29070955 1.00 STING1 (0.62) STING1ACHESRD5A1SRD5A2
SCHEMBL23480427 0.92 STING1 (0.70) STING1ACHE
SCHEMBL21452762 0.92 STING1 (0.70) STING1ACHE
SCHEMBL30449057 0.87 STING1 (0.57) STING1ACHESRD5A1SRD5A2
SCHEMBL29071004 0.87 STING1 (0.57) STING1ACHESRD5A1SRD5A2
SCHEMBL30417131 0.87 SRD5A1 (0.57) STING1ACHESRD5A1SRD5A2
SCHEMBL30449069 0.87 SRD5A1 (0.57) STING1ACHESRD5A1SRD5A2
SCHEMBL21405928 0.87 SRD5A1 (0.57) STING1ACHESRD5A1SRD5A2
SCHEMBL23480428 0.87 SRD5A1 (0.57) STING1ACHESRD5A1SRD5A2
SCHEMBL23480429 0.87 STING1 (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332903-B Dimeric compound with benzo [ b ] selenophene structure and application thereof 中国药科大学 2024-11-12 — — CN disclosed
CN-116332903-A Dimeric compound with benzo [ b ] selenophene structure and application thereof 中国药科大学 2023-06-27 — — CN disclosed
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