SCHEMBL22411229

SCHEMBL22411229

C[C@@H](O)CC(=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
SCHEMBL17276002 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL4360785 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL60564 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL11940284 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL19553819 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL147645 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL12409249 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL20524261 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL20524193 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL1404073 1.00 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4319746-A1 METHODS OF TREATING METHYLMALONIC ACIDEMIA AND PROPIONIC ACIDEMIA Hemoshear Therapeutics, Inc. (US) 2024-02-14 — — EP claimed
WO-2022216848-A1 METHODS OF TREATING METHYLMALONIC ACIDEMIA AND PROPIONIC ACIDEMIA Hemoshear Therapeutics, Inc. (US) 2022-10-13 — — WO claimed
EP-3976812-A1 METHODS FOR PREDICTING EQUINE WEIGHT LOSS PROPENSITY MARS, INCORPORATED (US) 2022-04-06 — — EP claimed
CN-118325982-A Method for producing acyl-coa or derivative thereof and application thereof 清华大学 2024-07-12 — — CN disclosed
EP-4319746-A1 METHODS OF TREATING METHYLMALONIC ACIDEMIA AND PROPIONIC ACIDEMIA Hemoshear Therapeutics, Inc. (US) 2024-02-14 — — EP disclosed
WO-2022216848-A1 METHODS OF TREATING METHYLMALONIC ACIDEMIA AND PROPIONIC ACIDEMIA Hemoshear Therapeutics, Inc. (US) 2022-10-13 — — WO disclosed
EP-3976812-A1 METHODS FOR PREDICTING EQUINE WEIGHT LOSS PROPENSITY MARS, INCORPORATED (US) 2022-04-06 — — EP disclosed
WO-2020198503-A1 THERAPEUTIC MICROBIOTA FOR THE TREATMENT AND/OR PREVENTION OF DYSBIOSIS THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-10-01 — — WO disclosed
WO-2020185485-A1 ARTIFICIAL FUSION OF DEHYDRATASE ENZYMES TO IMPROVE PRODUCTION OF FATTY ACIDS UNIVERSITY OF PUERTO RICO (US) 2020-09-17 — — WO disclosed
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