SCHEMBL30883231

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	12/20	0.68

▸	C5AR1	P21730	1/20	0.63

▸	NPY1R	P25929	1/20	0.62

▸	NPY2R	P49146	1/20	0.62

▸	NPY4R	P50391	1/20	0.62

▸	NPY5R	Q15761	1/20	0.62

▸	CALCA	P06881	2/20	0.60

▸	KEAP1	Q14145	1/20	0.60

▸	GLP1R	P43220	1/20	0.57

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
SCHEMBL30906444	0.91	CALCA (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31011012	0.90	CXCR4 (0.68)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30423138	0.90	CXCR4 (0.69)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30883245	0.90	CXCR4 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31183030	0.89	NPY1R (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29949636	0.89	NPY1R (0.71)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31664364	0.89	NPY1R (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30261964	0.88	CXCR4 (0.60)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL31683347	0.88	NPY2R (0.71)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL29351718	0.88	NPY1R (0.71)	CXCR4C5AR1NPY1RNPY2RNPY4R

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