SCHEMBL28164093

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.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 0.91

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	NAA50	Q9GZZ1	2/20	0.90

▸	CHAT	P28329	2/20	0.84

▸	EP300	Q09472	4/20	0.83

▸	KAT5	Q92993	2/20	0.83

▸	AURKA	O14965	2/20	0.83

▸	KAT2B	Q92831	1/20	0.83

▸	CREBBP	Q92793	1/20	0.75

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.

Compound	similarity	top predicted	shared targets
SCHEMBL24800603	1.00	NAA50 (0.90)	NAA50CHATEP300KAT5AURKA
SCHEMBL13461662	1.00	NAA50 (0.90)	NAA50CHATEP300KAT5AURKA
SCHEMBL27888712	1.00	NAA50 (0.90)	NAA50CHATEP300KAT5AURKA
SCHEMBL4368632	1.00	NAA50 (0.90)	NAA50CHATEP300KAT5AURKA
SCHEMBL60436	1.00	NAA50 (0.90)	NAA50CHATEP300KAT5AURKA
SCHEMBL31690470	0.99	NAA50 (0.89)	NAA50CHATEP300KAT5AURKA
Acetone SCHEMBL27777287	0.99	NAA50 (0.89)	NAA50CHATEP300KAT5AURKA
Hydrogen Sulfide SCHEMBL25316691	0.99	NAA50 (0.89)	NAA50CHATEP300KAT5AURKA
Acetic Acid SCHEMBL29287784	0.99	NAA50 (0.88)	NAA50CHATEP300KAT5AURKA
Acetic Acid SCHEMBL31361751	0.99	NAA50 (0.88)	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-107083406-A	(R) production method of 3 hydroxybutyric acids	湖州恒睿营养健康科技有限公司	2017-08-22	—	—	CN	claimed
CN-107083406-A	(R) production method of 3 hydroxybutyric acids	湖州恒睿营养健康科技有限公司	2017-08-22	—	—	CN	disclosed