SCHEMBL30422599

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

nearest known ligand 0.44

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CTSD	P07339	8/20	0.44

▸	GRB2	P62993	3/20	0.41

▸	ABCB1	P08183	1/20	0.40

▸	MMP1	P03956	1/20	0.40

▸	MME	P08473	3/20	0.39

▸	ACE	P12821	3/20	0.39

▸	CPA1	P15085	3/20	0.39

▸	ACE2	Q9BYF1	3/20	0.39

▸	REN	P00797	1/20	0.38

▸	NTSR2	O95665	1/20	0.38

▸	NTSR1	P30989	1/20	0.38

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
SCHEMBL30422538	1.00	CTSD (0.44)	CTSDGRB2ABCB1MMP1MME
SCHEMBL29468820	0.93	ABCB1 (0.42)	CTSDGRB2ABCB1MMP1MME
SCHEMBL30422261	0.89	CTSD (0.43)	CTSDGRB2ABCB1MMP1REN
SCHEMBL29468879	0.88	ABCB1 (0.41)	CTSDGRB2ABCB1MMP1MME
SCHEMBL30422838	0.85	CTSD (0.42)	CTSDGRB2ABCB1MMP1REN
SCHEMBL29468853	0.83	GRB2 (0.43)	CTSDGRB2MMEACECPA1
SCHEMBL29468876	0.83	CTSD (0.41)	CTSDABCB1MMP1MMEACE
SCHEMBL30852859	0.83	ABCB1 (0.43)	ABCB1MMP1REN
SCHEMBL29631187	0.82	ABCB1 (0.48)	CTSDABCB1MMP1MMEACE
SCHEMBL30422766	0.80	CTSD (0.42)	CTSDABCB1MMP1REN

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
EP-4146248-A1	LONG ACTING GLP-1/GIP DUAL AGONISTS	Sun Pharmaceutical Industries Limited (IN)	2023-03-15	—	—	EP	disclosed