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SCHEMBL4657682

SCHEMBL4657682

CC(C)(O)C(=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(O)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

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.82
▸ CHAT P28329 2/20 0.78
▸ EP300 Q09472 3/20 0.77
▸ KAT5 Q92993 2/20 0.77
▸ AURKA O14965 2/20 0.77
▸ KAT2B Q92831 1/20 0.77
▸ CREBBP Q92793 1/20 0.69

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
SCHEMBL12409249 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL11940284 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL4360785 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL4360773 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL1404073 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL60564 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL20524193 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL20524261 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL22411229 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL17276002 0.97 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861730-A1 BIOTECHNOLOGICAL 2-HYDROXYISOBUTYRIC ACID PRODUCTION Evonik Industries AG (DE) 2015-04-22 — — EP disclosed
WO-2013186340-A1 BIOTECHNOLOGICAL 2-HYDROXYISOBUTYRIC ACID PRODUCTION EVONIK INDUSTRIES AG (DE) 2013-12-19 — — WO disclosed
EP-1999264-A2 METHOD FOR THE ENZYMATIC PRODUCTION OF 2-HYDROXY-2-METHYL CARBOXYLIC ACIDS Evonik Röhm GmbH (DE) 2008-12-10 — — EP disclosed
WO-2007110394-A2 METHOD FOR THE ENZYMATIC PRODUCTION OF 2-HYDROXY-2-METHYL CARBOXYLIC ACIDS EVONIK RÖHM GMBH (DE) 2007-10-04 — — WO disclosed