SCHEMBL9107578

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)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 0.75

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	6/20	0.75

▸	BCL2L1	Q07817	1/20	0.59

▸	BAD	Q92934	1/20	0.59

▸	IL23R	Q5VWK5	4/20	0.58

▸	NR3C1	P04150	2/20	0.57

▸	KEAP1	Q14145	1/20	0.57

▸	RXFP1	Q9HBX9	1/20	0.56

▸	PTH1R	Q03431	1/20	0.56

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
SCHEMBL9108567	0.94	TFPI (0.68)	TFPINR3C1KEAP1PTH1R
SCHEMBL9109393	0.92	TFPI (0.72)	TFPIKEAP1PTH1R
SCHEMBL9108788	0.88	PTH1R (0.68)	IL23RNR3C1RXFP1PTH1R
SCHEMBL30262055	0.87	TFPI (0.62)	TFPIIL23RKEAP1PTH1R
SCHEMBL29551264	0.87	TFPI (0.71)	TFPINR3C1PTH1R
SCHEMBL29851163	0.87	TFPI (0.71)	TFPINR3C1PTH1R
SCHEMBL9074565	0.87	TFPI (0.77)	TFPIIL23RNR3C1
SCHEMBL9110544	0.87	IL23R (0.65)	TFPIIL23RNR3C1RXFP1PTH1R
SCHEMBL29387006	0.86	TFPI (0.65)	TFPIRXFP1PTH1R
SCHEMBL30496422	0.85	TFPI (0.71)	TFPINR3C1PTH1R

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