SCHEMBL31174239

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	CXCL8	P10145	10/20	0.59

▸	KISS1R	Q969F8	3/20	0.56

▸	KEAP1	Q14145	1/20	0.55

▸	CCKBR	P32239	2/20	0.54

▸	CALCR	P30988	1/20	0.53

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
SCHEMBL31182989	0.87	NPY1R (0.67)	CXCL8CALCR
SCHEMBL30607480	0.87	NPY1R (0.61)	CXCL8KISS1RCCKBR
SCHEMBL30262151	0.86	KISS1R (0.59)	CXCL8KISS1R
SCHEMBL30277896	0.85	NPY1R (0.62)	KISS1RCCKBR
SCHEMBL31182795	0.85	CXCL8 (0.63)	CXCL8KEAP1CALCR
SCHEMBL29496930	0.85	NPY1R (0.62)	—
SCHEMBL22807694	0.85	NPY1R (0.62)	—
SCHEMBL30511828	0.84	NPY1R (0.61)	CXCL8KISS1RCCKBR
SCHEMBL30726617	0.84	NPY1R (0.64)	CXCL8CCKBR
SCHEMBL29742988	0.84	CALCR (0.59)	CXCL8KISS1RKEAP1CALCR

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-118853746-A	Application of brassica BnNST gene in improving crack resistance of brassica napus	中国农业科学院油料作物研究所	2024-10-29	—	—	CN	disclosed