SCHEMBL30883228

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CN)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.61

▸	MAPK9	P45984	1/20	0.61

▸	MAPK10	P53779	1/20	0.61

▸	KEAP1	Q14145	4/20	0.56

▸	CXCR4	P61073	3/20	0.55

▸	CALCR	P30988	3/20	0.55

▸	RAMP3	O60896	1/20	0.55

▸	TFPI	P10646	1/20	0.55

▸	NMUR2	Q9GZQ4	1/20	0.55

▸	NMUR1	Q9HB89	1/20	0.55

▸	NPY2R	P49146	4/20	0.54

▸	NPY4R	P50391	4/20	0.54

▸	NPY5R	Q15761	4/20	0.54

▸	NPY1R	P25929	3/20	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
SCHEMBL30883202	0.93	MAPK8 (0.61)	MAPK8MAPK9MAPK10CXCR4CALCR
SCHEMBL31182462	0.89	CALCR (0.64)	MAPK8MAPK9MAPK10CXCR4CALCR
SCHEMBL30198913	0.89	KEAP1 (0.63)	MAPK8MAPK9MAPK10KEAP1CXCR4
SCHEMBL29632841	0.88	TFPI (0.64)	MAPK8MAPK9MAPK10CALCRRAMP3
SCHEMBL31182845	0.87	MAPK8 (0.65)	MAPK8MAPK9MAPK10KEAP1CALCR
SCHEMBL30607391	0.86	CXCR4 (0.64)	MAPK8MAPK9MAPK10CXCR4CALCR
SCHEMBL31455187	0.86	NMUR2 (0.65)	CXCR4CALCRRAMP3TFPINMUR2
SCHEMBL31182472	0.85	NPY2R (0.66)	CALCRRAMP3TFPINPY2RNPY4R
SCHEMBL31182961	0.85	NPY2R (0.65)	CALCRTFPINMUR2NMUR1NPY2R
SCHEMBL31707422	0.85	NMUR2 (0.59)	MAPK8MAPK9MAPK10KEAP1CXCR4

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
WO-2024097353-A1	RECOMBINANT ALGAE HAVING HIGH BIOMASS AND LIPID PRODUCTIVITY	VIRIDOS, INC. (US)	2024-05-10	—	—	WO	disclosed
US-20240150800-A1	RECOMBINANT ALGAE HAVING HIGH BIOMASS AND LIPID PRODUCTIVITY	PHYKION INC.	2024-05-09	—	—	US	disclosed