SCHEMBL29410232

CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O

nearest known ligand 0.77

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.67

▸	CALCR	P30988	4/20	0.64

▸	RAMP3	O60896	1/20	0.64

▸	TFPI	P10646	4/20	0.63

▸	NPY2R	P49146	7/20	0.62

▸	NPY4R	P50391	7/20	0.62

▸	NPY5R	Q15761	7/20	0.62

▸	NPY1R	P25929	5/20	0.62

▸	NMUR2	Q9GZQ4	2/20	0.61

▸	NMUR1	Q9HB89	2/20	0.61

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
SCHEMBL31295738	0.93	TFPI (0.64)	KEAP1CALCRTFPINPY2RNPY4R
SCHEMBL30842159	0.93	NMUR2 (0.64)	TFPINMUR2NMUR1
SCHEMBL29523674	0.93	CALCR (0.70)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL30423064	0.92	KEAP1 (0.69)	KEAP1CALCRRAMP3TFPINPY2R
SCHEMBL31182744	0.92	NPY2R (0.67)	CALCRRAMP3TFPINPY2RNPY4R
SCHEMBL31474428	0.91	RAMP3 (0.67)	KEAP1CALCRRAMP3TFPINPY2R
SCHEMBL30495811	0.91	NPY2R (0.66)	CALCRRAMP3TFPINPY2RNPY4R
SCHEMBL30495778	0.91	NPY2R (0.69)	KEAP1TFPINPY2RNPY4RNPY5R
SCHEMBL30495841	0.91	NPY2R (0.67)	CALCRRAMP3TFPINPY2RNPY4R
SCHEMBL31183013	0.91	NPY2R (0.64)	KEAP1CALCRRAMP3TFPINPY2R

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-11274129-B2	Methods for protein tyrosine phosphorylation profiling with variant SH2 domains	Li, Shun-Cheng (CA)	2022-03-15	—	—	US	disclosed