Methane

SCHEMBL28198292

C.CCCC(=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)

	gene	UniProt	supporting neighbours	confidence
▸	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.

Compound	similarity	top predicted	shared targets
Methane SCHEMBL18038085	1.00	NAA50 (0.87)	NAA50CHATEP300KAT5AURKA
SCHEMBL29425568	0.99	NAA50 (0.88)	NAA50CHATEP300KAT5AURKA
SCHEMBL22361767	0.99	NAA50 (0.88)	NAA50CHATEP300KAT5AURKA
SCHEMBL60439	0.99	NAA50 (0.88)	NAA50CHATEP300KAT5AURKA
SCHEMBL4358381	0.99	NAA50 (0.88)	NAA50CHATEP300KAT5AURKA
SCHEMBL4367366	0.99	NAA50 (0.88)	NAA50CHATEP300KAT5AURKA
SCHEMBL28130999	0.99	NAA50 (0.88)	NAA50CHATEP300KAT5AURKA
Phosphoric Acid SCHEMBL30705430	0.99	NAA50 (0.87)	NAA50CHATEP300KAT5AURKA
Acetic Acid SCHEMBL30464957	0.98	NAA50 (0.87)	NAA50CHATEP300KAT5AURKA
Acetic Acid SCHEMBL26923237	0.98	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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-107586753-A	Collaboration produces isopropanol and primary alconol, the microorganism and method of dihydric alcohol and acid	基因组股份公司	2018-01-16	—	—	CN	disclosed