SCHEMBL60498

SCHEMBL60498

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)CCO

nearest known ligand 0.89

Predicted protein targets (top 8)

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
▸ NAA40 Q86UY6 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
SCHEMBL16983021 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
SCHEMBL18327204 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
SCHEMBL14878909 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
Bromide SCHEMBL30997587 0.99 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL18614737 0.97 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL18925864 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL19554420 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL59555 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL2933622 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL28077759 0.97 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 628 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347814-A1 PRODUCTION OF MALONATE SEMIALDEHYDE AND DERIVATIVES BY MICROORGANISMS EXPRESSING ASPARTATE 1-DECARBOXYLASE Braskem, S.A. (BR) 2024-04-10 — — EP claimed
EP-4305173-A1 RECOMBINANT MICROORGANISMS AND USES THEREFOR Lanzatech, Inc. (US) 2024-01-17 — — EP claimed
CN-116615549-A Recombinant microorganism and use thereof 朗泽科技有限公司 2023-08-18 — — CN claimed
CN-111194353-B Poly (3-hydroxypropionate-B-lactate) block copolymers using microorganisms 株式会社LG化学 2023-08-01 — — CN claimed
CN-114276970-B Genetically engineered bacterium for producing 1, 3-propylene glycol 北京化工大学 2023-06-27 — — CN claimed
WO-2022192865-A9 RECOMBINANT MICROORGANISMS AND USES THEREFOR LANZATECH, INC. (US) 2023-02-09 — — WO claimed
US-11542533-B2 Method for producing 1,3-propanediol by fermentation of a recombinant microorganism TSINGHUA UNIVERSITY (CN) 2023-01-03 — — US claimed
WO-2022251933-A1 PRODUCTION OF MALONATE SEMIALDEHYDE AND DERIVATIVES BY MICROORGANISMS EXPRESSING ASPARTATE 1-DECARBOXYLASE BRASKEM S.A. (BR) 2022-12-08 — — WO claimed
US-20220380815-A1 PRODUCTION OF MALONATE SEMIALDEHYDE AND DERIVATIVES BY MICROORGANISMS EXPRESSING ASPARTATE 1-DECARBOXYLASE BRASKEM S.A. (BR) 2022-12-01 — — US claimed
WO-2022192865-A1 RECOMBINANT MICROORGANISMS AND USES THEREFOR LANZATECH, INC. (US) 2022-09-15 — — WO claimed
US-8609378-B2 Polyhydroxyalkanoate production from polyols METABOLIX, INC. (US) 2013-12-17 — — US claimed
US-20130189753-A1 METHODS FOR BIOSYNTHESIZING 1,3 BUTADIENE INVISTA NORTH AMERICA S.A R.L. (US) 2013-07-25 — — US claimed
WO-2013082542-A2 METHODS FOR BIOSYNTHESIZING 1,3BUTADIENE INVISTA NORTH AMERICA S.A.R.L. (US) 2013-06-06 — — WO claimed
WO-2013059362-A1 HOST CELLS AND METHOD FOR MAKING ACRYLATE AND PRECURSORS THEREOF USING AN ODD-NUMBERED ALKANE FEEDSTOCK CALYSTA BIOSYSTEMS (US) 2013-04-25 — — WO claimed
WO-2013052717-A2 MICROORGANISMS AND METHODS FOR PRODUCING ACRYLATE AND OTHER PRODUCTS FROM HOMOSERINE THE PROCTER & GAMBLE COMPANY (US) 2013-04-11 — — WO claimed
WO-2013044076-A1 DIRECT BIOCATALYTIC PRODUCTION OF ACRYLIC ACID AND OTHER CARBOXYLIC ACID COMPOUNDS CODEXIS, INC. (US) 2013-03-28 — — WO claimed
US-20120129232-A1 POLYHYDROXYALKANOATE PRODUCTION FROM POLYOLS METABOLIX, INC. 2012-05-24 — — US claimed
US-8114643-B2 Producing 3-hydroxypropionic acid from transgenic organisms such as plants or bacteria that express vicinal diol dehydratase, aldehyde dehydrogenase, acyl-CoA transferase, acyl-CoA synthetase, polyhydroxyalkanoate synthase, glycerol-3-phosphate dehydrogenase and/or glycerol-3-phosphatase METABOLIX, INC. (US) 2012-02-14 — — US claimed
WO-2012018624-A2 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE GENOMATICA, INC. (US) 2012-02-09 — — WO claimed
US-20050239179-A1 Producing 3-hydroxypropionic acid from transgenic organisms such as plants or bacteria that express vicinal diol dehydratase, aldehyde dehydrogenase, acyl-CoA transferase, acyl-CoA synthetase, polyhydroxyalkanoate synthase, glycerol-3-phosphate dehydrogenase and/or glycerol-3-phosphatase METABOLIX, INC. 2005-10-27 — — US claimed
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