SCHEMBL30070286

N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	FOLH1	Q04609	1/20	0.41

▸	TFPI	P10646	1/20	0.39

▸	TLR2	O60603	2/20	0.38

▸	NMT2	O60551	2/20	0.38

▸	NMT1	P30419	2/20	0.38

▸	NFE2L2	Q16236	1/20	0.37

▸	NPY4R	P50391	3/20	0.37

▸	NPY1R	P25929	2/20	0.37

▸	NPY2R	P49146	2/20	0.37

▸	NPY5R	Q15761	2/20	0.37

▸	IL23R	Q5VWK5	1/20	0.37

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
SCHEMBL30070332	1.00	FOLH1 (0.41)	FOLH1TFPITLR2NMT2NMT1
SCHEMBL30070336	0.99	FOLH1 (0.42)	FOLH1TFPINMT2NMT1NPY4R
SCHEMBL30070426	0.99	FOLH1 (0.42)	FOLH1TFPINMT2NMT1NPY4R
SCHEMBL30070283	0.96	NPY4R (0.37)	TLR2NMT2NMT1NFE2L2NPY4R
SCHEMBL30070292	0.96	NPY4R (0.37)	TLR2NMT2NMT1NFE2L2NPY4R
SCHEMBL30070334	0.95	NPY4R (0.37)	FOLH1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30070279	0.95	NPY4R (0.38)	TLR2NMT2NMT1NPY4RNPY1R
SCHEMBL30070254	0.95	NPY4R (0.38)	TLR2NMT2NMT1NPY4RNPY1R
SCHEMBL30070230	0.95	NPY4R (0.38)	FOLH1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30070216	0.92	FOLH1 (0.48)	FOLH1TLR2NMT2NMT1

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
CN-110172081-B	Polypeptide molecule derivative with mineralization function for biomedical tissue engineering and application thereof	南京九阵维医疗科技有限公司	2022-12-13	—	—	CN	disclosed