SCHEMBL15083579

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O[C@@H]1[C@@H](COP(=O)(O)O[C@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=O)(O)O)OC(n2cnc3c(N)ncnc32)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	DOT1L	Q8TEK3	3/20	0.46

▸	EP300	Q09472	4/20	0.46

▸	ENPP1	P22413	1/20	0.44

▸	KAT5	Q92993	2/20	0.44

▸	CREBBP	Q92793	1/20	0.44

▸	RNASEL	Q05823	7/20	0.42

▸	CHAT	P28329	2/20	0.41

▸	AURKA	O14965	1/20	0.41

▸	KAT2B	Q92831	1/20	0.41

▸	NAA50	Q9GZZ1	1/20	0.41

▸	KLK7	P49862	1/20	0.41

▸	KLK5	Q9Y337	1/20	0.41

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
SCHEMBL16289533	1.00	DOT1L (0.46)	DOT1LEP300ENPP1KAT5CREBBP
SCHEMBL16574761	1.00	DOT1L (0.46)	DOT1LEP300ENPP1KAT5CREBBP
SCHEMBL16289539	1.00	DOT1L (0.46)	DOT1LEP300ENPP1KAT5CREBBP
SCHEMBL16289550	1.00	DOT1L (0.46)	DOT1LEP300ENPP1KAT5CREBBP
SCHEMBL16289527	1.00	DOT1L (0.46)	DOT1LEP300ENPP1KAT5CREBBP
SCHEMBL23157246	1.00	DOT1L (0.46)	DOT1LEP300ENPP1KAT5CREBBP
SCHEMBL15083467	1.00	DOT1L (0.46)	DOT1LEP300ENPP1KAT5CREBBP
SCHEMBL16289546	1.00	DOT1L (0.46)	DOT1LEP300ENPP1KAT5CREBBP
SCHEMBL16289017	0.99	DOT1L (0.46)	DOT1LEP300ENPP1KAT5CREBBP
SCHEMBL16289010	0.99	DOT1L (0.46)	DOT1LEP300ENPP1KAT5CREBBP

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
WO-2013100132-A1	PEPTIDE-COMPOUND CYCLIZATION METHOD	中外製薬株式会社 (JP)	2013-07-04	—	—	WO	disclosed