SCHEMBL29601319

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	RXFP1	Q9HBX9	2/20	0.50

▸	KEAP1	Q14145	3/20	0.48

▸	PTH1R	Q03431	2/20	0.46

▸	ENPEP	Q07075	5/20	0.45

▸	ECE1	P42892	1/20	0.44

▸	GLP1R	P43220	1/20	0.44

▸	MUS81	Q96NY9	1/20	0.44

▸	TFPI	P10646	1/20	0.44

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
SCHEMBL29601022	1.00	RXFP1 (0.50)	RXFP1KEAP1PTH1RENPEPECE1
SCHEMBL29677485	0.92	RXFP1 (0.53)	RXFP1PTH1RTFPI
SCHEMBL10336105	0.90	RXFP1 (0.52)	RXFP1KEAP1PTH1RECE1GLP1R
SCHEMBL9346849	0.90	RXFP1 (0.52)	RXFP1KEAP1PTH1RECE1GLP1R
SCHEMBL9346837	0.90	RXFP1 (0.52)	RXFP1KEAP1PTH1RECE1GLP1R
SCHEMBL10336101	0.90	RXFP1 (0.52)	RXFP1KEAP1PTH1RECE1GLP1R
SCHEMBL30974368	0.89	ENPEP (0.48)	RXFP1ENPEP
SCHEMBL31255227	0.89	RXFP1 (0.58)	RXFP1PTH1RECE1GLP1RMUS81
SCHEMBL29677438	0.88	RXFP1 (0.54)	RXFP1PTH1RTFPI
SCHEMBL29470910	0.87	RXFP1 (0.56)	RXFP1TFPI

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-114605522-A	MCL-1 and BCL-XL protein dual-targeting BH3 polypeptide mimics and application thereof	中山大学	2022-06-10	—	—	CN	claimed