SCHEMBL29572169

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)CC)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.59

▸	MAPK9	P45984	1/20	0.59

▸	MAPK10	P53779	1/20	0.59

▸	KDM1A	O60341	3/20	0.58

▸	TFPI	P10646	5/20	0.56

▸	NPY2R	P49146	7/20	0.55

▸	NPY4R	P50391	7/20	0.55

▸	NPY5R	Q15761	7/20	0.55

▸	NPY1R	P25929	5/20	0.55

▸	MAOB	P27338	1/20	0.53

▸	KDM5A	P29375	1/20	0.53

▸	KDM1B	Q8NB78	1/20	0.53

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
SCHEMBL29525763	0.92	KDM1A (0.63)	MAPK8MAPK9MAPK10KDM1ATFPI
SCHEMBL31544752	0.89	TFPI (0.60)	MAPK8MAPK9MAPK10TFPINPY2R
SCHEMBL30495738	0.89	NPY2R (0.61)	MAPK8MAPK9MAPK10KDM1ATFPI
SCHEMBL30607307	0.88	OPRM1 (0.57)	MAPK8MAPK9MAPK10TFPINPY2R
SCHEMBL30199009	0.87	MAPK8 (0.59)	MAPK8MAPK9MAPK10
SCHEMBL31182651	0.87	NPY2R (0.61)	MAPK8MAPK9MAPK10KDM1ATFPI
SCHEMBL29657455	0.87	TFPI (0.61)	TFPI
SCHEMBL30607274	0.86	MAPK8 (0.59)	MAPK8MAPK9MAPK10KDM1ANPY2R
SCHEMBL30404538	0.86	KEAP1 (0.65)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30607387	0.86	MAPK8 (0.61)	MAPK8MAPK9MAPK10KDM1ATFPI

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-113045629-B	Antibacterial peptide BIMix and application thereof	宁夏大学	2022-05-31	—	—	CN	disclosed