SCHEMBL29468876

CC[C@H](C)[C@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H](N)[C@@H](C)OC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CTSD	P07339	6/20	0.41

▸	ABCB1	P08183	1/20	0.40

▸	MMP1	P03956	2/20	0.38

▸	MME	P08473	7/20	0.36

▸	ACE	P12821	7/20	0.36

▸	CPA1	P15085	7/20	0.36

▸	ACE2	Q9BYF1	7/20	0.36

▸	KMT2A	Q03164	1/20	0.36

▸	PTPN1	P18031	1/20	0.35

▸	ANPEP	P15144	1/20	0.34

▸	LNPEP	Q9UIQ6	1/20	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
SCHEMBL30422766	0.92	CTSD (0.42)	CTSDABCB1MMP1PTPN1
SCHEMBL29468879	0.91	ABCB1 (0.41)	CTSDABCB1MMP1MMEACE
SCHEMBL30647289	0.89	ABCB1 (0.43)	ABCB1MMP1
SCHEMBL29468820	0.89	ABCB1 (0.42)	CTSDABCB1MMP1MMEACE
SCHEMBL31518742	0.86	PSEN1 (0.42)	CTSD
SCHEMBL29468857	0.84	CTSD (0.41)	CTSD
SCHEMBL30422838	0.83	CTSD (0.42)	CTSDABCB1MMP1PTPN1
SCHEMBL30422538	0.83	CTSD (0.44)	CTSDABCB1MMP1MMEACE
SCHEMBL30422599	0.83	CTSD (0.44)	CTSDABCB1MMP1MMEACE
SCHEMBL29468853	0.82	GRB2 (0.43)	CTSDMMEACECPA1ACE2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-4204440-A1	GLP-1/GIP DUAL AGONISTS	Sun Pharmaceutical Industries Limited (IN)	2023-07-05	—	—	EP	disclosed
WO-2022079639-A1	GLP-1/GIP DUAL AGONISTS	SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN)	2022-04-21	—	—	WO	disclosed