SCHEMBL29566093

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CO)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	15/20	0.57

▸	CALCR	P30988	15/20	0.57

▸	CXCR4	P61073	2/20	0.53

▸	KEAP1	Q14145	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
SCHEMBL29943968	0.92	CALCR (0.60)	RAMP3CALCRKEAP1
SCHEMBL31461953	0.87	RAMP3 (0.58)	RAMP3CALCRCXCR4
SCHEMBL31593265	0.87	RAMP3 (0.54)	RAMP3CALCRCXCR4
SCHEMBL30883270	0.86	KEAP1 (0.61)	RAMP3CALCRKEAP1
SCHEMBL29742986	0.86	CALCR (0.59)	RAMP3CALCR
SCHEMBL31307221	0.86	C5AR1 (0.57)	RAMP3CALCRCXCR4
SCHEMBL29968139	0.86	RAMP3 (0.59)	RAMP3CALCRCXCR4
SCHEMBL31307222	0.86	C5AR1 (0.56)	RAMP3CALCRCXCR4
SCHEMBL30512494	0.86	MAPK8 (0.54)	RAMP3CALCRKEAP1
SCHEMBL30512556	0.86	APLNR (0.62)	RAMP3CALCRCXCR4

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-111763244-B	Hydrostatin-SN61 as anti-inflammatory active peptide of sea snake, and coding gene and application thereof in pharmacy	上海大学	2022-04-05	—	—	CN	disclosed