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Sugi Predict / Compounds / 3-Hydroxy-3-Methylglutaryl-Coenzyme A

3-Hydroxy-3-Methylglutaryl-Coenzyme A

3-Hydroxy-3-Methylglutaryl-Coenzyme A

SCHEMBL6382909

CC(=O)SCCNC(=O)CCNC(=O)[C@H](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.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@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@](C)(O)CC(=O)O

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.88
▸ CHAT P28329 2/20 0.77
▸ EP300 Q09472 4/20 0.76
▸ KAT5 Q92993 2/20 0.76
▸ AURKA O14965 1/20 0.76
▸ KAT2B Q92831 1/20 0.76
▸ CREBBP Q92793 1/20 0.71

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
3-Hydroxy-3-Methylglutaryl-Coenzyme A SCHEMBL5497515 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
3-Hydroxy-3-Methylglutaryl-Coenzyme A SCHEMBL18281293 0.98 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
3-Hydroxy-3-Methylglutaryl-Coenzyme A SCHEMBL20505754 0.98 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
3-Hydroxy-3-Methylglutaryl-Coenzyme A SCHEMBL12303241 0.98 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
3-Hydroxy-3-Methylglutaryl-Coenzyme A SCHEMBL29353902 0.98 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
3-Hydroxy-3-Methylglutaryl-Coenzyme A SCHEMBL1198 0.98 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
3-Hydroxy-3-Methylglutaryl-Coenzyme A SCHEMBL4358590 0.98 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
3-Hydroxy-3-Methylglutaryl-Coenzyme A SCHEMBL22277142 0.98 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
3-Hydroxy-3-Methylglutaryl-Coenzyme A SCHEMBL21067504 0.98 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
3-Hydroxy-3-Methylglutaryl-Coenzyme A SCHEMBL219453 0.98 NAA50 (0.84) 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
EP-1537239-A2 METHODS OF IDENTIFYING COMPOUNDS THAT MODULATE PROTEIN ACTIVITY Curagen Corporation (US) 2005-06-08 — — EP disclosed
WO-2004013347-A2 METHODS OF IDENTIFYING COMPOUNDS THAT MODULATE PROTEIN ACTIVITY CURAGEN CORPORATION (US) 2004-02-12 — — WO disclosed
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