SCHEMBL30712950

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

nearest known ligand 0.70

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.67

▸	MAPK9	P45984	1/20	0.67

▸	MAPK10	P53779	1/20	0.67

▸	EP300	Q09472	1/20	0.63

▸	HIF1A	Q16665	1/20	0.63

▸	CALCR	P30988	5/20	0.61

▸	NPY2R	P49146	7/20	0.60

▸	NPY4R	P50391	7/20	0.60

▸	NPY5R	Q15761	7/20	0.60

▸	NPY1R	P25929	5/20	0.60

▸	NMUR2	Q9GZQ4	2/20	0.60

▸	NMUR1	Q9HB89	2/20	0.60

▸	RAMP3	O60896	1/20	0.59

▸	F2	P00734	2/20	0.59

▸	KEAP1	Q14145	1/20	0.58

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
SCHEMBL30712922	0.93	MAPK8 (0.67)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30726566	0.91	NPY2R (0.62)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30428447	0.91	MAPK8 (0.70)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL31182912	0.90	NPY2R (0.66)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30658227	0.90	CALCR (0.67)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL31005076	0.90	MAPK8 (0.61)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30974500	0.90	MAPK8 (0.60)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30883233	0.90	NMUR2 (0.68)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL31281023	0.90	MAPK8 (0.64)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30607415	0.89	EP300 (0.67)	MAPK8MAPK9MAPK10EP300HIF1A

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
US-20240003881-A1	SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES	THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA)	2024-01-04	—	—	US	disclosed