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Sugi Predict / Compounds / Malonyl-Coenzyme A

Malonyl-Coenzyme A

Malonyl-Coenzyme A

SCHEMBL27943558

CC(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)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O.CC(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)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.88
▸ CHAT P28329 2/20 0.84
▸ EP300 Q09472 3/20 0.83
▸ KAT5 Q92993 2/20 0.83
▸ AURKA O14965 2/20 0.83
▸ KAT2B Q92831 1/20 0.83
▸ CREBBP Q92793 1/20 0.74

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
Malonyl-Coenzyme A SCHEMBL28164738 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
Malonyl-Coenzyme A SCHEMBL27930376 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
Malonyl-Coenzyme A SCHEMBL30109292 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
Malonyl-Coenzyme A SCHEMBL6450 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
Malonyl-Coenzyme A SCHEMBL30109215 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
Malonyl-Coenzyme A SCHEMBL13461519 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
Malonyl-Coenzyme A SCHEMBL14593552 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
Malonyl-Coenzyme A SCHEMBL2125762 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
Malonyl-Coenzyme A SCHEMBL20502471 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
Malonyl-Coenzyme A SCHEMBL15270958 0.99 NAA50 (0.87) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103370420-A Process for producing propylene from syngas via fermentative propanol production and dehydration TOTAL PETROCHEMICALS RES FELUY 2013-10-23 — — CN disclosed