SCHEMBL27900338

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(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CC(=O)O.O=C(O)CC(=O)CCO

nearest known ligand 0.90

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	NAA50	Q9GZZ1	2/20	0.81

▸	CHAT	P28329	2/20	0.78

▸	EP300	Q09472	3/20	0.76

▸	KAT5	Q92993	2/20	0.76

▸	AURKA	O14965	2/20	0.76

▸	KAT2B	Q92831	1/20	0.76

▸	CREBBP	Q92793	1/20	0.69

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
SCHEMBL420710	0.97	NAA50 (0.85)	NAA50CHATEP300KAT5AURKA
SCHEMBL416543	0.97	NAA50 (0.85)	NAA50CHATEP300KAT5AURKA
SCHEMBL21874948	0.97	NAA50 (0.85)	NAA50CHATEP300KAT5AURKA
SCHEMBL28813886	0.97	NAA50 (0.85)	NAA50CHATEP300KAT5AURKA
SCHEMBL15018707	0.97	NAA50 (0.85)	NAA50CHATEP300KAT5AURKA
SCHEMBL21314167	0.95	NAA50 (0.84)	NAA50CHATEP300KAT5AURKA
Succinic Acid SCHEMBL29359560	0.95	NAA50 (0.84)	NAA50CHATEP300KAT5AURKA
SCHEMBL20857028	0.95	NAA50 (0.84)	NAA50CHATEP300KAT5AURKA
SCHEMBL18925866	0.95	NAA50 (0.84)	NAA50CHATEP300KAT5AURKA
SCHEMBL29806102	0.95	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-103459602-A	Microorganisms and methods for butadiene biosynthesis	GENOMATICA INC	2013-12-18	—	—	CN	disclosed
CN-103080324-A	Microorganisms and methods for butadiene biosynthesis	GENOMATICA INC	2013-05-01	—	—	CN	disclosed