SCHEMBL30487131

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.65

▸	MAPK9	P45984	1/20	0.65

▸	MAPK10	P53779	1/20	0.65

▸	KDM1A	O60341	3/20	0.64

▸	NPY2R	P49146	8/20	0.59

▸	NPY4R	P50391	8/20	0.59

▸	NPY5R	Q15761	8/20	0.59

▸	NPY1R	P25929	6/20	0.59

▸	MAOB	P27338	1/20	0.59

▸	KDM5A	P29375	1/20	0.59

▸	KDM1B	Q8NB78	1/20	0.59

▸	RAMP3	O60896	3/20	0.58

▸	CALCR	P30988	3/20	0.58

▸	TFPI	P10646	2/20	0.56

▸	NMUR2	Q9GZQ4	1/20	0.54

▸	NMUR1	Q9HB89	1/20	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
SCHEMBL31182939	0.86	MAPK8 (0.73)	MAPK8MAPK9MAPK10KDM1ANPY2R
SCHEMBL30605455	0.86	MAPK8 (0.61)	MAPK8MAPK9MAPK10KDM1ANPY2R
SCHEMBL30640886	0.86	RAMP3 (0.63)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL31174208	0.86	CALCR (0.62)	MAPK8MAPK9MAPK10KDM1ANPY2R
SCHEMBL31182865	0.85	MAPK8 (0.73)	MAPK8MAPK9MAPK10KDM1ANPY2R
SCHEMBL29396082	0.85	RAMP3 (0.64)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL31182733	0.85	KDM1A (0.61)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30415437	0.85	MAPK8 (0.59)	MAPK8MAPK9MAPK10KDM1ANPY2R
SCHEMBL29903384	0.85	NPY2R (0.66)	MAPK8MAPK9MAPK10KDM1ANPY2R
SCHEMBL29393469	0.84	MAPK8 (0.73)	MAPK8MAPK9MAPK10KDM1ANPY2R

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