SCHEMBL30487130

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.57

▸	MAPK9	P45984	1/20	0.57

▸	MAPK10	P53779	1/20	0.57

▸	APLNR	P35414	1/20	0.56

▸	CALCR	P30988	4/20	0.56

▸	F2	P00734	4/20	0.54

▸	CXCR4	P61073	2/20	0.53

▸	HCRTR1	O43613	1/20	0.53

▸	HCRTR2	O43614	1/20	0.53

▸	NPY2R	P49146	5/20	0.52

▸	NPY4R	P50391	5/20	0.52

▸	NPY5R	Q15761	5/20	0.52

▸	NPY1R	P25929	4/20	0.52

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
SCHEMBL31182889	0.90	MAPK8 (0.68)	MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL30262103	0.88	F2 (0.60)	MAPK8MAPK9MAPK10CALCRF2
SCHEMBL30512494	0.88	MAPK8 (0.54)	MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL30432204	0.87	CALCR (0.57)	APLNRCALCRNPY2RNPY4RNPY5R
SCHEMBL30432802	0.87	CALCR (0.56)	MAPK8MAPK9MAPK10CALCRNPY2R
SCHEMBL30429121	0.87	MAPK8 (0.65)	MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL30432474	0.86	CALCR (0.53)	MAPK8MAPK9MAPK10CALCRF2
SCHEMBL31182696	0.86	CALCR (0.59)	CALCRCXCR4HCRTR1HCRTR2NPY2R
SCHEMBL29903311	0.86	CALCR (0.60)	MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL31232538	0.86	CALCR (0.59)	MAPK8MAPK9MAPK10CALCRCXCR4

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
US-11698369-B2	Methods for monitoring immune status of a subject	Oncotracker, Inc. (US)	2023-07-11	—	—	US	disclosed