SCHEMBL30525445

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

nearest known ligand 0.53

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	5/20	0.53

▸	CALCRL	Q16602	6/20	0.53

▸	SLC6A2	P23975	1/20	0.48

▸	CTSB	P07858	2/20	0.48

▸	RAMP1	O60894	1/20	0.43

▸	XIAP	P98170	2/20	0.43

▸	CMA1	P23946	1/20	0.42

▸	OPRM1	P35372	1/20	0.42

▸	EPHA2	P29317	1/20	0.42

▸	MLX	Q9UH92	1/20	0.42

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
SCHEMBL30525434	0.93	CALCRL (0.50)	CAPN1CALCRLSLC6A2CTSBRAMP1
SCHEMBL29959682	0.91	SLC6A2 (0.54)	CAPN1CALCRLSLC6A2CTSBRAMP1
SCHEMBL30666371	0.89	CAPN1 (0.53)	CAPN1CALCRLSLC6A2CTSBXIAP
SCHEMBL8937022	0.88	CAPN1 (0.49)	CAPN1CALCRLXIAP
SCHEMBL8937016	0.88	CAPN1 (0.49)	CAPN1CALCRLXIAP
SCHEMBL31316156	0.87	CALCRL (0.58)	CAPN1CALCRLSLC6A2CTSBRAMP1
SCHEMBL31500765	0.87	CALCRL (0.51)	CAPN1CALCRLSLC6A2CTSBRAMP1
SCHEMBL29680220	0.87	CAPN1 (0.51)	CAPN1CALCRLSLC6A2CTSBRAMP1
SCHEMBL30401176	0.85	SLC6A2 (0.49)	CAPN1CALCRLSLC6A2XIAPCMA1
SCHEMBL16468657	0.85	ACE (0.50)	CALCRL

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
US-11718687-B2	Biomoletron for regulation stem cell differentiation	SOGANGN UNIVERSITY RESEARCH FOUNDATION (KR)	2023-08-08	—	—	US	claimed