SCHEMBL16118965

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCOCCOC(C)(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@H](C(N)=O)[C@@H](C)CP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	PLK1	P53350	1/20	0.53

▸	REN	P00797	11/20	0.50

▸	RAMP3	O60896	6/20	0.45

▸	CALCR	P30988	6/20	0.45

▸	CTSD	P07339	1/20	0.45

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
SCHEMBL16118966	0.95	PLK1 (0.58)	PLK1RENRAMP3CALCR
SCHEMBL17518878	0.94	PLK1 (0.55)	PLK1RENRAMP3CALCRCTSD
SCHEMBL15729407	0.94	PLK1 (0.55)	PLK1RENRAMP3CALCRCTSD
SCHEMBL17518828	0.94	PLK1 (0.55)	PLK1RENRAMP3CALCRCTSD
SCHEMBL15729169	0.93	PLK1 (0.56)	PLK1RENRAMP3CALCRCTSD
SCHEMBL20920258	0.93	PLK1 (0.53)	PLK1RENCTSD
SCHEMBL13470572	0.90	PLK1 (0.60)	PLK1RENRAMP3CALCRCTSD
SCHEMBL15729140	0.90	PLK1 (0.60)	PLK1RENRAMP3CALCRCTSD
SCHEMBL17518879	0.90	PLK1 (0.60)	PLK1RENRAMP3CALCRCTSD
SCHEMBL15729376	0.89	PLK1 (0.61)	PLK1RENRAMP3CALCRCTSD

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-2014153101-A2	PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE	THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US)	2014-09-25	—	—	WO	disclosed