SCHEMBL30988892

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	3/20	0.63

▸	CTSS	P25774	3/20	0.63

▸	CTSK	P43235	3/20	0.63

▸	CTSH	P09668	1/20	0.63

▸	CXCR4	P61073	12/20	0.59

▸	C5AR1	P21730	1/20	0.58

▸	NMBR	P28336	2/20	0.56

▸	GRPR	P30550	2/20	0.56

▸	KEAP1	Q14145	1/20	0.53

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
SCHEMBL30883238	0.96	CTSL (0.63)	CTSLCTSSCTSKCTSHCXCR4
SCHEMBL29697166	0.87	CTSL (0.62)	CTSLCTSSCTSKCTSHCXCR4
SCHEMBL5405522	0.86	C5AR1 (0.62)	CTSLCTSSCTSKCTSHCXCR4
SCHEMBL5405514	0.86	C5AR1 (0.62)	CTSLCTSSCTSKCTSHCXCR4
SCHEMBL29965030	0.85	C5AR1 (0.74)	CTSLCTSSCTSKCTSHCXCR4
SCHEMBL30091430	0.84	CTSL (0.67)	CTSLCTSSCTSKCTSHCXCR4
SCHEMBL30883203	0.84	NPY1R (0.65)	C5AR1KEAP1
SCHEMBL31307905	0.83	CXCR4 (0.63)	CTSLCTSSCTSKCTSHCXCR4
SCHEMBL34461111	0.83	DPP3 (0.56)	CTSLCTSSCTSKCTSHCXCR4
SCHEMBL34461092	0.83	CXCR4 (0.59)	CXCR4C5AR1

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-2024097353-A1	RECOMBINANT ALGAE HAVING HIGH BIOMASS AND LIPID PRODUCTIVITY	VIRIDOS, INC. (US)	2024-05-10	—	—	WO	disclosed