SCHEMBL27830848

SCHEMBL27830848

CCCCC(=O)SCCNC(=O)CCNC(=O)C(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 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.87
▸ CHAT P28329 2/20 0.83
▸ EP300 Q09472 3/20 0.82
▸ KAT5 Q92993 2/20 0.82
▸ AURKA O14965 2/20 0.82
▸ KAT2B Q92831 1/20 0.82
▸ CREBBP Q92793 1/20 0.73

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
SCHEMBL29424596 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL2757454 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL849827 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
Hexanoyl-Coa SCHEMBL21496009 0.98 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
Hexanoyl-Coa SCHEMBL60392 0.98 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
Hexanoyl-Coa SCHEMBL11940278 0.98 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
Octanoyl-Coa SCHEMBL24667663 0.98 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL1129961 0.98 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
Dodecanoyl-Coa SCHEMBL4309283 0.98 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL20970006 0.98 NAA50 (0.85) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110637088-B Methods and cell lines for producing polyketides in yeast 海牙森生物公司 2024-03-22 — — CN disclosed
CN-110651047-B Methods and cell lines for producing phytocannabinoids and phytocannabinoid analogs in yeast 海牙森生物公司 2024-01-05 — — CN disclosed
CN-105062939-A Recombinant strain, construction method thereof, and method for improving yield of abamectin CHINESE ACAD INST MICROBIOLOGY 2015-11-18 — — CN disclosed
CN-102093997-B Method for producing doramectin by modifying streptomyces avermitilis SHANGHAI INST ORGANIC CHEM 2013-03-13 — — CN disclosed
CN-102093997-A Method for producing doramectin by modifying streptomyces avermitilis SHANGHAI INST ORGANIC CHEM 2011-06-15 — — CN disclosed
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