SCHEMBL30744896

C[C@H](NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	FAP	Q12884	1/20	0.35

▸	BDKRB2	P30411	16/20	0.35

▸	BDKRB1	P46663	4/20	0.35

▸	VHL	P40337	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
SCHEMBL30744981	1.00	FAP (0.35)	FAPBDKRB2BDKRB1VHL
SCHEMBL30744924	0.89	BDKRB2 (0.37)	FAPBDKRB2BDKRB1VHL
SCHEMBL31354837	0.85	CHRM2 (0.38)	VHL
SCHEMBL31158095	0.84	CHRM3 (0.42)	VHL
SCHEMBL31135221	0.84	CHRM3 (0.42)	VHL
SCHEMBL29816189	0.79	BDKRB2 (0.38)	BDKRB2BDKRB1VHL
SCHEMBL30785829	0.79	BDKRB2 (0.38)	BDKRB2BDKRB1VHL
SCHEMBL29930318	0.79	BDKRB2 (0.38)	BDKRB2BDKRB1VHL
SCHEMBL30785832	0.79	CHRM2 (0.40)	BDKRB2
SCHEMBL30785842	0.79	CHRM2 (0.40)	BDKRB2

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-117503679-A	Stem cell composition and kit for cosmetic treatment	澳大利亚健康产业有限公司	2024-02-06	—	—	CN	disclosed