SCHEMBL29949610

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)O)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.65

▸	MAPK8	P45983	1/20	0.65

▸	MAPK9	P45984	1/20	0.65

▸	MAPK10	P53779	1/20	0.65

▸	EPHA2	P29317	2/20	0.61

▸	MAOB	P27338	1/20	0.60

▸	KDM5A	P29375	1/20	0.60

▸	KDM1B	Q8NB78	1/20	0.60

▸	RAMP3	O60896	3/20	0.59

▸	CALCR	P30988	3/20	0.59

▸	NPY2R	P49146	4/20	0.58

▸	NPY4R	P50391	4/20	0.58

▸	NPY5R	Q15761	4/20	0.58

▸	NPY1R	P25929	3/20	0.58

▸	TFPI	P10646	4/20	0.58

▸	NMUR2	Q9GZQ4	2/20	0.57

▸	NMUR1	Q9HB89	2/20	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
SCHEMBL30437130	0.88	MAPK8 (0.65)	KDM1AMAPK8MAPK9MAPK10EPHA2
SCHEMBL30485546	0.88	MAPK8 (0.69)	KDM1AMAPK8MAPK9MAPK10EPHA2
SCHEMBL30495769	0.86	MAPK8 (0.69)	KDM1AMAPK8MAPK9MAPK10RAMP3
SCHEMBL31182865	0.86	MAPK8 (0.73)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30485541	0.86	MAPK8 (0.68)	KDM1AMAPK8MAPK9MAPK10EPHA2
SCHEMBL29404705	0.85	RAMP3 (0.70)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30903282	0.85	KDM1A (0.69)	KDM1AMAPK8MAPK9MAPK10EPHA2
SCHEMBL30436240	0.85	RAMP3 (0.64)	EPHA2RAMP3CALCRNPY2RNPY4R
SCHEMBL30883249	0.85	EPHA2 (0.62)	KDM1AMAPK8MAPK9MAPK10EPHA2
SCHEMBL30080584	0.85	MAPK8 (0.62)	KDM1AMAPK8MAPK9MAPK10EPHA2

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
CN-113308448-B	Rice leaf color regulation gene WSS1 and encoding protein and application thereof	中国农业科学院作物科学研究所	2022-11-18	—	—	CN	disclosed