SCHEMBL9108567

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)C(C)C)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.68

▸	PTH1R	Q03431	5/20	0.58

▸	KEAP1	Q14145	2/20	0.58

▸	NPY1R	P25929	2/20	0.55

▸	NPY2R	P49146	2/20	0.55

▸	NPY4R	P50391	2/20	0.55

▸	NPY5R	Q15761	2/20	0.55

▸	NR3C1	P04150	2/20	0.55

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
SCHEMBL9109393	0.97	TFPI (0.72)	TFPIPTH1RKEAP1
SCHEMBL9107578	0.94	TFPI (0.75)	TFPIPTH1RKEAP1NR3C1
SCHEMBL29851163	0.93	TFPI (0.71)	TFPIPTH1RNR3C1
SCHEMBL29551264	0.93	TFPI (0.71)	TFPIPTH1RNR3C1
SCHEMBL9108788	0.91	PTH1R (0.68)	PTH1RNR3C1
Misgurin SCHEMBL29509599	0.89	TFPI (0.72)	TFPIPTH1RNR3C1
SCHEMBL30262134	0.89	TFPI (0.56)	TFPIPTH1RKEAP1NPY1RNPY2R
SCHEMBL30839569	0.89	TFPI (0.56)	TFPIKEAP1
SCHEMBL29387006	0.89	TFPI (0.65)	TFPIPTH1R
SCHEMBL30435346	0.89	TFPI (0.66)	TFPIPTH1RKEAP1

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
WO-1995008560-A1	NOVEL PEPTIDES USEFUL FOR INHIBITING BINDING OF LIPOPOLYSACCHARIDES (LPS) BY LIPOPOLYSACCHARIDE BINDING PROTEIN (LBP)	CENTOCOR, INC. (US)	1995-03-30	—	—	WO	disclosed