Decanoyl-Coa

Decanoyl-Coa

SCHEMBL24667667

CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.85
▸ CHAT P28329 2/20 0.82
▸ EP300 Q09472 3/20 0.80
▸ KAT5 Q92993 2/20 0.80
▸ AURKA O14965 2/20 0.80
▸ KAT2B Q92831 1/20 0.80
▸ CREBBP Q92793 1/20 0.72

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
SCHEMBL366095 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
Dodecanoyl-Coa SCHEMBL4309283 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL2934083 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL1756475 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL1129961 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
Octanoyl-Coa SCHEMBL24667663 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL11027446 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
Octanoyl-Coa SCHEMBL2370508 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL20970006 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
Dodecanoyl-Coa SCHEMBL187868 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA

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
WO-2022171763-A1 MEDIUM-CHAIN FATTY ACYLS AND PHOSPHOLIPIDS AS BIOMARKERS FOR CARDIOVASCULAR DISEASES EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) 2022-08-18 — — WO disclosed
EP-4043884-A1 MEDIUM-CHAIN FATTY ACYLS AND PHOSPHOLIPIDS AS BIOMARKERS FOR CARDIOVASCULAR DISEASES Eberhard-Karls-Universität Tübingen (DE) 2022-08-17 — — EP disclosed
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