SCHEMBL20375584

CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)N(C)[C@H](C(=O)N[C@H](O)C(C)C)C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	SIRT2	Q8IXJ6	9/20	0.37

▸	SIRT1	Q96EB6	8/20	0.37

▸	SIRT3	Q9NTG7	4/20	0.37

▸	SIRT5	Q9NXA8	3/20	0.37

▸	FAP	Q12884	1/20	0.36

▸	NPY4R	P50391	5/20	0.35

▸	NPY1R	P25929	3/20	0.34

▸	NPY2R	P49146	2/20	0.34

▸	NPY5R	Q15761	2/20	0.34

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
SCHEMBL20375515	0.93	SIRT2 (0.39)	SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL19869029	0.91	FAP (0.40)	SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL21082516	0.90	FAP (0.39)	SIRT2SIRT1SIRT3SIRT5FAP
SCHEMBL16143152	0.85	SIRT2 (0.38)	SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL24094770	0.84	SIRT2 (0.44)	SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL14887234	0.84	SIRT2 (0.39)	SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL14887476	0.84	SIRT2 (0.39)	SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL19387308	0.84	SIRT2 (0.39)	SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL21604314	0.83	SIRT2 (0.44)	SIRT2SIRT1SIRT3SIRT5NPY4R
SCHEMBL15606241	0.83	SIRT2 (0.38)	SIRT2SIRT1SIRT3SIRT5NPY4R

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-2018127699-A1	COMPOUNDS FOR TREATING CANCER	Bicyclerd Limited (GB)	2018-07-12	—	—	WO	disclosed