SCHEMBL29595677

N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.38

▸	IL23R	Q5VWK5	9/20	0.38

▸	SLC15A2	Q16348	1/20	0.36

▸	PTGS1	P23219	1/20	0.36

▸	GSTK1	Q9Y2Q3	1/20	0.36

▸	SIRT6	Q8N6T7	1/20	0.36

▸	SIRT1	Q96EB6	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
SCHEMBL28933203	0.91	PTGS1 (0.42)	SLC15A2PTGS1GSTK1
SCHEMBL28933196	0.91	PTGS1 (0.42)	SLC15A2PTGS1GSTK1
SCHEMBL31593243	0.89	SLC15A2 (0.43)	SLC15A2SIRT6SIRT1
SCHEMBL31277220	0.88	IL23R (0.45)	TFPIIL23R
SCHEMBL17930107	0.87	SLC15A2 (0.47)	SLC15A2SIRT6SIRT1
SCHEMBL31737509	0.86	IL23R (0.45)	IL23R
SCHEMBL30957278	0.85	PTGS1 (0.46)	SLC15A2PTGS1GSTK1SIRT6SIRT1
SCHEMBL29569109	0.85	NPY4R (0.44)	PTGS1GSTK1
SCHEMBL29449792	0.85	PTGS1 (0.41)	PTGS1GSTK1
SCHEMBL29449790	0.85	PTGS1 (0.41)	PTGS1GSTK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-114354558-A	Ratio type fluorescent nano probe, preparation method and method for quantitatively detecting activity of matrix metalloproteinase-7	中国科学院长春应用化学研究所	2022-04-15	—	—	CN	claimed
CN-114354558-A	Ratio type fluorescent nano probe, preparation method and method for quantitatively detecting activity of matrix metalloproteinase-7	中国科学院长春应用化学研究所	2022-04-15	—	—	CN	disclosed