SCHEMBL10773608

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	1/20	0.43

▸	KEAP1	Q14145	5/20	0.43

▸	NMUR2	Q9GZQ4	2/20	0.42

▸	NMUR1	Q9HB89	1/20	0.42

▸	CXCR4	P61073	1/20	0.42

▸	RAMP3	O60896	5/20	0.42

▸	CALCR	P30988	5/20	0.42

▸	CALCRL	Q16602	2/20	0.41

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
SCHEMBL10773591	1.00	APLNR (0.43)	APLNRKEAP1NMUR2NMUR1CXCR4
SCHEMBL30683558	0.87	CALCRL (0.46)	KEAP1CXCR4RAMP3CALCRCALCRL
SCHEMBL30435240	0.85	NTSR2 (0.46)	—
SCHEMBL30240004	0.84	DPP4 (0.47)	—
SCHEMBL30449622	0.84	KEAP1 (0.48)	KEAP1RAMP3CALCRCALCRL
SCHEMBL30136886	0.84	NTSR2 (0.46)	CALCRL
SCHEMBL30444071	0.84	BACE1 (0.45)	CALCRL
SCHEMBL30532203	0.83	CALCRL (0.45)	KEAP1CALCRL
SCHEMBL30435100	0.83	CAPN1 (0.45)	NMUR2
SCHEMBL30443912	0.83	CALCRL (0.48)	KEAP1NMUR2NMUR1CALCRL

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
WO-1987006239-A1	HEPATOMA-DERIVED GROWTH FACTOR	THE GENERAL HOSPITAL CORPORATION (US)	1987-10-22	—	—	WO	claimed