SCHEMBL29554773

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.64

▸	MAPK9	P45984	1/20	0.64

▸	MAPK10	P53779	1/20	0.64

▸	KEAP1	Q14145	2/20	0.58

▸	NPY2R	P49146	8/20	0.58

▸	NPY4R	P50391	8/20	0.58

▸	NPY5R	Q15761	8/20	0.58

▸	NPY1R	P25929	6/20	0.58

▸	EP300	Q09472	1/20	0.57

▸	HIF1A	Q16665	1/20	0.57

▸	KDM1A	O60341	2/20	0.53

▸	PTH1R	Q03431	1/20	0.53

▸	RAMP3	O60896	1/20	0.53

▸	CALCR	P30988	1/20	0.53

▸	VIPR2	P41587	1/20	0.52

▸	TFPI	P10646	1/20	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
SCHEMBL30168731	0.92	MAPK8 (0.64)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30262189	0.92	NPY2R (0.60)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30607421	0.91	NPY2R (0.60)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL29608162	0.91	MAPK8 (0.63)	MAPK8MAPK9MAPK10
SCHEMBL29607270	0.89	MAPK8 (0.61)	MAPK8MAPK9MAPK10
SCHEMBL31182651	0.88	NPY2R (0.61)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29617368	0.88	MAPK8 (0.56)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30338084	0.88	NPY2R (0.62)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL29606976	0.88	MAPK8 (0.63)	MAPK8MAPK9MAPK10
SCHEMBL38666025	0.88	EP300 (0.62)	MAPK8MAPK9MAPK10NPY2RNPY4R

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
CN-109789180-B	KIF 13B-derived peptides and methods of inhibiting angiogenesis	伊利诺伊大学理事会	2023-09-08	—	—	CN	disclosed
US-11299524-B2	KIF13B-derived peptide and method of inhibiting angiogenesis	THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US)	2022-04-12	—	—	US	disclosed