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Sugi Predict / Compounds / SCHEMBL29138749

SCHEMBL29138749

SCHEMBL29138749

CC(C)(C)OC(=O)CCOCC(N)(COCCC(=O)O)COCCC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL14361939 1.00 STING1 (0.31) STING1MEN1ALDH1A1CYP1A2THRB
SCHEMBL944737 0.93 STING1 (0.33) STING1
SCHEMBL25495878 0.87 STING1 (0.31) STING1
SCHEMBL15568215 0.87 — —
SCHEMBL20552587 0.86 STING1 (0.35) STING1ALDH1A1
SCHEMBL15568218 0.85 — —
SCHEMBL7676443 0.84 TLR2 (0.34) STING1ALDH1A1
SCHEMBL12092180 0.84 TLR2 (0.34) STING1ALDH1A1
SCHEMBL31395742 0.84 TLR2 (0.34) STING1ALDH1A1
SCHEMBL22717025 0.84 TLR2 (0.34) STING1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024260259-A1 INTEGRIN LIGAND AND USE THEREOF 广东众生睿创生物科技有限公司 2024-12-26 — — WO disclosed
CN-117342983-B Synthesis method of peracetylated GalNAc-L96 康羽生命科学技术(苏州)有限公司 2024-02-06 — — CN disclosed
CN-117342983-A Synthesis method of peracetylated GalNAc-L96 康羽生命科学技术(苏州)有限公司 2024-01-05 — — CN disclosed