SCHEMBL31488462

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	6/20	0.47

▸	CALCR	P30988	4/20	0.44

▸	SLC6A2	P23975	1/20	0.41

▸	REN	P00797	4/20	0.41

▸	CAPN1	P07384	4/20	0.41

▸	RAMP1	O60894	1/20	0.40

▸	CTSB	P07858	1/20	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
SCHEMBL30819478	0.89	CALCRL (0.46)	CALCRLSLC6A2REN
SCHEMBL30498899	0.88	SLC6A2 (0.42)	CALCRLSLC6A2RENCAPN1CTSB
SCHEMBL30974108	0.86	SLC6A2 (0.51)	CALCRLSLC6A2REN
SCHEMBL30611006	0.85	CAPN1 (0.44)	CALCRLSLC6A2RENCAPN1CTSB
SCHEMBL30465929	0.84	CAPN1 (0.54)	CAPN1CTSB
SCHEMBL31483367	0.84	CAPN1 (0.46)	CALCRLCALCRSLC6A2RENCAPN1
SCHEMBL30819477	0.84	REN (0.44)	CALCRLSLC6A2RENCAPN1CTSB
SCHEMBL29925778	0.83	ACE (0.43)	REN
SCHEMBL30385689	0.83	REN (0.47)	SLC6A2REN
SCHEMBL31583750	0.82	REN (0.46)	REN

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-119454895-A	Composition for preventing and treating alcoholic liver injury and application thereof	浙江工业大学	2025-02-18	—	—	CN	disclosed