SCHEMBL30777830

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	XIAP	P98170	2/20	0.48

▸	CALCRL	Q16602	5/20	0.46

▸	AGTR2	P50052	5/20	0.43

▸	AGTR1	P30556	4/20	0.43

▸	CAPN1	P07384	2/20	0.41

▸	KMT2A	Q03164	1/20	0.40

▸	L3MBTL1	Q9Y468	1/20	0.40

▸	MLX	Q9UH92	1/20	0.40

▸	NTSR2	O95665	4/20	0.40

▸	NTSR1	P30989	4/20	0.40

▸	SORT1	Q99523	2/20	0.40

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
Davunetide SCHEMBL19712227	0.91	XIAP (0.48)	XIAPCALCRLAGTR2AGTR1NTSR2
Davunetide SCHEMBL3689039	0.91	XIAP (0.48)	XIAPCALCRLAGTR2AGTR1NTSR2
Davunetide SCHEMBL239736	0.91	XIAP (0.48)	XIAPCALCRLAGTR2AGTR1NTSR2
Davunetide SCHEMBL239737	0.91	XIAP (0.48)	XIAPCALCRLAGTR2AGTR1NTSR2
SCHEMBL13035034	0.90	XIAP (0.47)	XIAPCALCRLAGTR2AGTR1NTSR2
SCHEMBL30056720	0.88	CALCRL (0.42)	XIAPCALCRLAGTR2AGTR1CAPN1
Hydrochloric Acid SCHEMBL30504557	0.87	CALCRL (0.42)	XIAPCALCRLAGTR2AGTR1CAPN1
SCHEMBL29590984	0.85	NTSR2 (0.49)	CAPN1NTSR2NTSR1SORT1
SCHEMBL30407242	0.82	CAPN1 (0.49)	XIAPCALCRLCAPN1MLX
SCHEMBL14693963	0.81	XIAP (0.53)	XIAPAGTR2AGTR1NTSR2NTSR1

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-111808011-B	High penetration composition and its application	泰飞尔生物医药(苏州)有限公司	2024-02-27	—	—	CN	disclosed