SCHEMBL30598157

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CCCCN)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	IL23R	Q5VWK5	1/20	0.52

▸	CXCR4	P61073	2/20	0.52

▸	OPRD1	P41143	5/20	0.52

▸	CALCR	P30988	5/20	0.51

▸	RAMP1	O60894	1/20	0.48

▸	RAMP2	O60895	1/20	0.48

▸	RAMP3	O60896	1/20	0.48

▸	CALCRL	Q16602	1/20	0.48

▸	C5AR1	P21730	1/20	0.48

▸	NPY1R	P25929	1/20	0.48

▸	NPY2R	P49146	1/20	0.48

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
SCHEMBL29706178	0.94	MAPK8 (0.56)	MAPK8MAPK9MAPK10IL23RCXCR4
SCHEMBL29706167	0.94	MAPK8 (0.56)	MAPK8MAPK9MAPK10IL23RCXCR4
SCHEMBL30598182	0.94	MAPK8 (0.60)	MAPK8MAPK9MAPK10IL23RCXCR4
SCHEMBL29706257	0.94	MAPK8 (0.57)	MAPK8MAPK9MAPK10IL23RCXCR4
SCHEMBL29706321	0.93	MAPK8 (0.55)	MAPK8MAPK9MAPK10IL23RCXCR4
SCHEMBL29706327	0.93	MAPK8 (0.55)	MAPK8MAPK9MAPK10IL23RCXCR4
SCHEMBL29706150	0.93	MAPK8 (0.55)	MAPK8MAPK9MAPK10IL23RCXCR4
SCHEMBL29706239	0.93	MAPK8 (0.59)	MAPK8MAPK9MAPK10CXCR4OPRD1
SCHEMBL29706255	0.92	MAPK8 (0.56)	MAPK8MAPK9MAPK10IL23ROPRD1
SCHEMBL29706120	0.92	MAPK8 (0.56)	MAPK8MAPK9MAPK10IL23RCXCR4

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
WO-2022111713-A9	POLYPEPTIDE CONTAINING DISULFIDE BONDS AND CAPABLE OF INHIBITING ACTIVITY OF SERINE PROTEASE, DERIVED HYBRID PEPTIDE THEREOF, AND USE THEREOF	中国医学科学院药物研究所	2023-07-27	—	—	WO	disclosed