SCHEMBL30712922

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

nearest known ligand 0.69

Predicted protein targets (top 12)

	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	0.61

▸	HIF1A	Q16665	1/20	0.61

▸	NPY2R	P49146	8/20	0.58

▸	NPY1R	P25929	8/20	0.58

▸	NPY4R	P50391	7/20	0.58

▸	NPY5R	Q15761	7/20	0.58

▸	CALCR	P30988	5/20	0.58

▸	KEAP1	Q14145	2/20	0.57

▸	RAMP3	O60896	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
SCHEMBL30428447	0.95	MAPK8 (0.70)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30712950	0.93	MAPK8 (0.67)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30712935	0.90	NPY2R (0.64)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL31005076	0.90	MAPK8 (0.61)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL31182959	0.90	MAPK8 (0.67)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30607487	0.90	NPY2R (0.69)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL29754385	0.90	MAPK8 (0.64)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30883233	0.89	NMUR2 (0.68)	EP300HIF1ANPY2RNPY1RNPY4R
SCHEMBL31182925	0.89	CALCR (0.68)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30436229	0.89	NPY2R (0.66)	MAPK8MAPK9MAPK10NPY2RNPY1R

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