SCHEMBL8429429

C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CXCL8	P10145	10/20	0.46

▸	BDKRB2	P30411	2/20	0.46

▸	KEAP1	Q14145	1/20	0.42

▸	GRB2	P62993	1/20	0.41

▸	RAMP3	O60896	3/20	0.41

▸	CALCR	P30988	3/20	0.41

▸	EPHA2	P29317	2/20	0.40

▸	NMUR2	Q9GZQ4	1/20	0.40

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
SCHEMBL8431318	0.96	CXCL8 (0.45)	CXCL8BDKRB2KEAP1GRB2RAMP3
SCHEMBL8429833	0.95	CXCL8 (0.46)	CXCL8BDKRB2KEAP1GRB2RAMP3
SCHEMBL8427600	0.95	BDKRB2 (0.43)	CXCL8BDKRB2KEAP1GRB2NMUR2
SCHEMBL8429835	0.87	NMUR2 (0.54)	CXCL8NMUR2
SCHEMBL29596671	0.80	GRB2 (0.48)	BDKRB2KEAP1GRB2RAMP3CALCR
SCHEMBL31586540	0.80	NPY2R (0.49)	RAMP3CALCRNMUR2
SCHEMBL30721557	0.79	ACE (0.42)	BDKRB2
SCHEMBL31307226	0.79	RAMP3 (0.47)	CXCL8RAMP3CALCRNMUR2
SCHEMBL29547288	0.79	GRB2 (0.48)	CXCL8GRB2RAMP3CALCR
SCHEMBL29546551	0.79	GRB2 (0.48)	CXCL8GRB2RAMP3CALCR

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-5859187-A	Antiviral peptides	E. R. SQUIBB & SONS, INC. (US)	1999-01-12	—	—	US	disclosed