SCHEMBL15019306

SCHEMBL15019306

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)CCCC(O)O

nearest known ligand 0.88

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.86
▸ CHAT P28329 2/20 0.82
▸ EP300 Q09472 4/20 0.81
▸ KAT5 Q92993 2/20 0.81
▸ AURKA O14965 2/20 0.81
▸ KAT2B Q92831 1/20 0.81
▸ CREBBP Q92793 1/20 0.76
▸ NAA40 Q86UY6 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
SCHEMBL28115993 1.00 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
SCHEMBL22590110 0.98 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL2933622 0.95 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL849827 0.95 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL29424596 0.95 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL4287977 0.95 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL19554420 0.95 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL22556110 0.95 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL18925864 0.95 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL59962 0.95 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791342-A1 MODIFIED MICROORGANISMS AND METHODS OF MAKING BUTADIENE USING SAME Braskem S.A. (BR) 2014-10-22 — — EP disclosed
WO-2013192183-A1 MODIFIED MICROORGANISMS AND METHODS OF CO-PRODUCING BUTADIENE WITH 1-PROPANOL AND/OR 1,2-PROPANEDIOL BRASKEM S/A AP 09 (BR) 2013-12-27 — — WO disclosed
WO-2013090915-A1 MODIFIED MICROORGANISMS AND METHODS OF MAKING BUTADIENE USING SAME BRASKEM S.A. (BR) 2013-06-20 — — WO disclosed
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