SCHEMBL31722880

NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.37

▸	BACE1	P56817	8/20	0.36

▸	EGFR	P00533	1/20	0.36

▸	PTGS1	P23219	1/20	0.34

▸	GSTK1	Q9Y2Q3	1/20	0.34

▸	CTSD	P07339	2/20	0.34

▸	GLP1R	P43220	2/20	0.34

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
SCHEMBL31006043	0.91	PTGS1 (0.40)	BACE1EGFRPTGS1GSTK1
SCHEMBL30455944	0.89	PTGS1 (0.39)	EGFRPTGS1GSTK1
SCHEMBL30666352	0.88	OPRD1 (0.33)	F2PTGS1GSTK1
SCHEMBL29475312	0.86	GLP1R (0.36)	F2EGFRPTGS1GSTK1GLP1R
SCHEMBL1371052	0.86	OPRD1 (0.34)	PTGS1GSTK1GLP1R
SCHEMBL30037432	0.86	OPRD1 (0.34)	PTGS1GSTK1GLP1R
SCHEMBL31109168	0.84	PTGS1 (0.34)	PTGS1GSTK1
SCHEMBL29630656	0.84	DPP4 (0.35)	F2BACE1
SCHEMBL8978124	0.83	BACE1 (0.40)	BACE1PTGS1GSTK1CTSD
SCHEMBL8978115	0.83	BACE1 (0.40)	BACE1PTGS1GSTK1CTSD

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-12466852-B2	Method for extraction and purification of hirudin mutant and use thereof	SUNGEN BIOSCIENCE CO., LTD. (CN)	2025-11-11	—	—	US	disclosed