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Sugi Predict / Compounds / SCHEMBL29475681

SCHEMBL29475681

SCHEMBL29475681

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CCCCNC(=O)CON)C(=O)NCCC1CCN(Cc2ccc(Cn3c(=O)[nH]c4c(N)nc(OCCCC)cc43)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 17/20 0.42
▸ ACHE P22303 16/20 0.42
▸ CACNA1F O60840 2/20 0.40
▸ CACNA1D Q01668 2/20 0.40
▸ CACNA1S Q13698 2/20 0.40
▸ CACNA1C Q13936 2/20 0.40
▸ TLR7 Q9NYK1 3/20 0.37
▸ IL6 P05231 1/20 0.37

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
SCHEMBL26356277 0.91 TLR7 (0.49) TLR7IL6
SCHEMBL26347358 0.91 TLR7 (0.49) TLR7IL6
SCHEMBL22359142 0.88 TLR7 (0.40) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL28659945 0.88 TLR7 (0.40) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL26347360 0.87 TLR7 (0.52) TLR7IL6
SCHEMBL26356048 0.84 TLR7 (0.53) TLR7IL6
SCHEMBL26360242 0.83 TLR7 (0.52) TLR7IL6
SCHEMBL26347339 0.82 TLR7 (0.52) TLR7IL6
SCHEMBL29034553 0.82 TLR7 (0.50) TLR7IL6
SCHEMBL26347356 0.82 TLR7 (0.50) TLR7IL6

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
EP-4199968-A1 ANTIBODY-TLR AGONIST CONJUGATES, METHODS AND USES THEREOF Ambrx, Inc. (US) 2023-06-28 — — EP disclosed
WO-2022040596-A1 ANTIBODY-TLR AGONIST CONJUGATES, METHODS AND USES THEREOF AMBRX, INC. (US) 2022-02-24 — — WO disclosed
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