SCHEMBL31343369

CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(N)=O)C(C)C)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	6/20	0.61

▸	BACE2	Q9Y5Z0	2/20	0.61

▸	TFPI	P10646	1/20	0.57

▸	KISS1R	Q969F8	3/20	0.54

▸	KEAP1	Q14145	1/20	0.54

▸	VIPR1	P32241	1/20	0.54

▸	CTSD	P07339	1/20	0.54

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
SCHEMBL31672193	0.92	BACE1 (0.61)	BACE1BACE2TFPIVIPR1CTSD
SCHEMBL8363698	0.90	BACE1 (0.56)	BACE1BACE2TFPIKISS1RVIPR1
SCHEMBL29726737	0.89	BACE1 (0.53)	BACE1BACE2TFPIKISS1RVIPR1
SCHEMBL30671760	0.88	BACE1 (0.56)	BACE1BACE2KEAP1CTSD
SCHEMBL30906520	0.88	BACE1 (0.57)	BACE1BACE2TFPIKISS1RVIPR1
SCHEMBL29893268	0.88	TFPI (0.60)	BACE1BACE2TFPIVIPR1CTSD
SCHEMBL29616877	0.87	BACE1 (0.58)	BACE1BACE2TFPICTSD
SCHEMBL29499666	0.87	KISS1R (0.60)	KISS1R
SCHEMBL31257030	0.86	BACE1 (0.58)	BACE1TFPIVIPR1CTSD
SCHEMBL30973970	0.86	BACE1 (0.54)	BACE1BACE2KISS1RCTSD

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-118978569-A	Renal clear cell carcinoma targeting peptide and targeting probe for carbonic anhydrase IX and application of renal clear cell carcinoma targeting peptide and targeting probe	东南大学附属中大医院	2024-11-19	—	—	CN	disclosed