SCHEMBL29641591

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

nearest known ligand 0.49

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	3/20	0.49

▸	PTPN1	P18031	1/20	0.48

▸	RAMP3	O60896	10/20	0.42

▸	CALCR	P30988	10/20	0.42

▸	CALCRL	Q16602	2/20	0.42

▸	STAT3	P40763	1/20	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
SCHEMBL30542974	0.90	PTPN1 (0.46)	KEAP1PTPN1RAMP3CALCR
SCHEMBL29904042	0.89	APLNR (0.42)	PTPN1
SCHEMBL29641613	0.89	KEAP1 (0.51)	KEAP1PTPN1RAMP3CALCRCALCRL
SCHEMBL29904041	0.84	APLNR (0.41)	KEAP1PTPN1
SCHEMBL30542989	0.83	KEAP1 (0.45)	KEAP1PTPN1CALCRL
SCHEMBL29827555	0.83	KEAP1 (0.52)	KEAP1PTPN1RAMP3CALCR
SCHEMBL29827592	0.82	RAMP3 (0.53)	KEAP1PTPN1RAMP3CALCR
SCHEMBL30493464	0.82	APLNR (0.42)	PTPN1RAMP3CALCR
SCHEMBL30099663	0.82	NAA50 (0.45)	PTPN1RAMP3CALCRSTAT3
SCHEMBL8643257	0.82	KEAP1 (0.47)	KEAP1RAMP3CALCRCALCRL

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
US-20220409709-A1	LABYRINTHIN-BASED PEPTIDES FOR CANCER IMMUNOTHERAPIES AND USES THEREOF	LABYRX IMMUNOLOGIC THERAPEUTICS USA LTD (US)	2022-12-29	—	—	US	disclosed
US-20220089719-A1	CONSTRUCTS TARGETING LABYRINTHIN OR A PORTION THEREOF AND USES THEREOF	LABYRX IMMUNOLOGIC THERAPEUTICS (USA) LIMITED (US)	2022-03-24	—	—	US	disclosed