SCHEMBL14655975

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)N1C(=O)CCC1=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cc2ccccc2oc1=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	KDR	P35968	1/20	0.41

▸	OPRD1	P41143	5/20	0.39

▸	OPRM1	P35372	3/20	0.39

▸	BACE1	P56817	4/20	0.37

▸	BACE2	Q9Y5Z0	3/20	0.37

▸	MMP8	P22894	2/20	0.36

▸	CTSD	P07339	2/20	0.36

▸	NPY1R	P25929	1/20	0.36

▸	NPY2R	P49146	1/20	0.36

▸	NPY4R	P50391	1/20	0.36

▸	NPY5R	Q15761	1/20	0.36

▸	MMP2	P08253	1/20	0.36

▸	MMP9	P14780	1/20	0.36

▸	CTSK	P43235	1/20	0.36

▸	OPRK1	P41145	1/20	0.36

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
SCHEMBL2332848	0.87	OPRM1 (0.47)	KDROPRD1OPRM1BACE1BACE2
SCHEMBL14968851	0.83	KDR (0.39)	KDROPRD1OPRM1BACE1BACE2
SCHEMBL3366840	0.80	CASP1 (0.51)	KDROPRD1BACE1BACE2
SCHEMBL6748044	0.79	KDR (0.44)	KDR
SCHEMBL7182945	0.76	MMP8 (0.39)	KDROPRD1MMP8MMP2MMP9
SCHEMBL1193133	0.75	TDP1 (0.39)	—
SCHEMBL4264976	0.74	OPRD1 (0.55)	OPRD1OPRM1BACE1BACE2OPRK1
SCHEMBL1508356	0.73	MET (0.40)	KDROPRD1MMP8NPY1RNPY2R
SCHEMBL2157759	0.72	OPRD1 (0.52)	OPRD1OPRM1BACE1BACE2OPRK1
SCHEMBL2168561	0.70	CASP3 (0.41)	BACE1BACE2MMP8CTSDMMP2

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
EP-2551276-A1	Method for purification of immunoproteasomes	ARES TRADING S.A. (CH)	2013-01-30	—	—	EP	disclosed