SCHEMBL30362861

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CC[C@H](N)C(=O)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	2/20	0.40

▸	SLC6A2	P23975	1/20	0.40

▸	CAPN1	P07384	2/20	0.39

▸	XIAP	P98170	1/20	0.39

▸	KMT2A	Q03164	1/20	0.38

▸	L3MBTL1	Q9Y468	1/20	0.38

▸	NTSR2	O95665	4/20	0.38

▸	NTSR1	P30989	4/20	0.38

▸	SORT1	Q99523	4/20	0.38

▸	RAMP3	O60896	4/20	0.38

▸	CALCR	P30988	4/20	0.38

▸	MAPK8	P45983	1/20	0.38

▸	MAPK9	P45984	1/20	0.38

▸	MAPK10	P53779	1/20	0.38

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
SCHEMBL29805727	0.91	CALCRL (0.46)	CALCRLSLC6A2CAPN1XIAPKMT2A
SCHEMBL29898314	0.88	CAPN1 (0.44)	CALCRLSLC6A2CAPN1KMT2AL3MBTL1
SCHEMBL30997445	0.79	CAPN1 (0.48)	CALCRLSLC6A2CAPN1
SCHEMBL30744250	0.79	XIAP (0.51)	XIAPKMT2AL3MBTL1
SCHEMBL31696336	0.78	XIAP (0.47)	XIAPNTSR2NTSR1SORT1
SCHEMBL31289506	0.76	ACE (0.47)	NTSR2NTSR1SORT1
SCHEMBL29434627	0.76	CAPN1 (0.51)	SLC6A2CAPN1
SCHEMBL30777830	0.75	XIAP (0.48)	CALCRLCAPN1XIAPKMT2AL3MBTL1
SCHEMBL31031467	0.75	ACE (0.44)	CAPN1
SCHEMBL38663937	0.75	XIAP (0.60)	CALCRLSLC6A2CAPN1XIAPNTSR2

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-116159024-A	Beta-hairpin peptidomimetics having elastase inhibitory activity and aerosol dosage forms thereof	思帕克塞斯股份公司	2023-05-26	—	—	CN	claimed