SCHEMBL13469968

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCOC(C)(C)COC(C)(C)CCNC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)C(C)CP(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	PLK1	P53350	5/20	0.59

▸	REN	P00797	8/20	0.44

▸	PLK3	Q9H4B4	2/20	0.42

▸	PLK2	Q9NYY3	2/20	0.42

▸	FCGRT	P55899	1/20	0.41

▸	RAMP3	O60896	3/20	0.41

▸	CALCR	P30988	3/20	0.41

▸	CXCR4	P61073	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
SCHEMBL20920275	0.93	PLK1 (0.62)	PLK1RENPLK3PLK2FCGRT
SCHEMBL20920260	0.90	PLK1 (0.58)	PLK1RENPLK3PLK2
SCHEMBL15729601	0.90	PLK1 (0.62)	PLK1RENRAMP3CALCRCXCR4
SCHEMBL13470171	0.89	PLK1 (0.59)	PLK1RENPLK3PLK2
SCHEMBL20920226	0.88	PLK1 (0.62)	PLK1RENPLK3PLK2CXCR4
SCHEMBL20920258	0.86	PLK1 (0.53)	PLK1RENPLK3PLK2
SCHEMBL16118966	0.84	PLK1 (0.58)	PLK1RENPLK3PLK2RAMP3
SCHEMBL20920239	0.84	PLK1 (0.62)	PLK1RENPLK3PLK2
SCHEMBL15729191	0.84	PLK1 (0.71)	PLK1RENPLK3PLK2RAMP3
SCHEMBL15729376	0.84	PLK1 (0.61)	PLK1RENPLK3PLK2RAMP3

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-2012142245-A2	PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE	THE GOVERNMENT OF THE UNITED OF AMERIA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US)	2012-10-18	—	—	WO	disclosed