SCHEMBL30618036

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

nearest known ligand 0.69

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.62

▸	MAPK8	P45983	1/20	0.59

▸	MAPK9	P45984	1/20	0.59

▸	MAPK10	P53779	1/20	0.59

▸	KEAP1	Q14145	1/20	0.58

▸	GLP1R	P43220	4/20	0.57

▸	NPY2R	P49146	5/20	0.57

▸	NPY4R	P50391	5/20	0.57

▸	NPY5R	Q15761	5/20	0.57

▸	NPY1R	P25929	3/20	0.57

▸	CCKBR	P32239	1/20	0.57

▸	BECN1	Q14457	1/20	0.57

▸	VIPR1	P32241	2/20	0.56

▸	VIPR2	P41587	1/20	0.56

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
SCHEMBL30618031	1.00	CALCR (0.62)	CALCRMAPK8MAPK9MAPK10KEAP1
SCHEMBL30618033	1.00	CALCR (0.62)	CALCRMAPK8MAPK9MAPK10KEAP1
SCHEMBL30618026	1.00	CALCR (0.62)	CALCRMAPK8MAPK9MAPK10KEAP1
SCHEMBL30618028	1.00	CALCR (0.61)	CALCRMAPK8MAPK9MAPK10KEAP1
SCHEMBL30618032	0.98	CALCR (0.59)	CALCRMAPK8MAPK9MAPK10KEAP1
SCHEMBL30618035	0.98	MAPK8 (0.61)	CALCRMAPK8MAPK9MAPK10KEAP1
SCHEMBL30618030	0.96	MAPK8 (0.61)	CALCRMAPK8MAPK9MAPK10KEAP1
SCHEMBL31182650	0.92	CALCR (0.61)	CALCRMAPK8MAPK9MAPK10GLP1R
SCHEMBL30618037	0.91	TFPI (0.61)	CALCRGLP1RCCKBRVIPR1VIPR2
SCHEMBL30449633	0.89	MAPK8 (0.56)	CALCRMAPK8MAPK9MAPK10KEAP1

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-116987180-A	Methods and compositions for cancer diagnosis and treatment	生物技术欧洲股份公司	2023-11-03	—	—	CN	disclosed