SCHEMBL13045377

C=C1N[C@H]2CSC(CCCCC(=O)NCCCC[C@H](NC(=O)CN(CCOC)C(=O)CN(CCO)C(=O)CN(CCCCN)C(=O)CN(C(C)=O)[C@@H](C)c3ccccc3)C(N)=O)[C@H]2N1

nearest known ligand 0.42

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	PLG	P00747	2/20	0.42

▸	PRSS1	P07477	2/20	0.42

▸	PRSS2	P07478	2/20	0.42

▸	PRSS3	P35030	2/20	0.42

▸	TPSAB1	Q15661	2/20	0.42

▸	FOLH1	Q04609	8/20	0.41

▸	VIM	P08670	1/20	0.39

▸	F2	P00734	1/20	0.38

▸	TDP1	Q9NUW8	1/20	0.36

▸	CASP3	P42574	2/20	0.35

▸	CASP1	P29466	1/20	0.35

▸	CASP2	P42575	1/20	0.35

▸	CASP7	P55210	1/20	0.35

▸	CASP8	Q14790	1/20	0.35

▸	HSP90AB1	P08238	1/20	0.35

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
SCHEMBL16350819	0.94	FOLH1 (0.48)	PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL13045383	0.92	PLG (0.41)	PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL10085186	0.91	PLG (0.41)	PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL10085182	0.90	PLG (0.41)	PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL10085165	0.89	PRSS1 (0.40)	PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL13045392	0.89	FOLH1 (0.43)	PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL10085170	0.87	PLG (0.41)	PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL10085177	0.87	PRSS1 (0.41)	PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL16350785	0.86	FOLH1 (0.48)	PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL10085179	0.85	PRSS1 (0.42)	PLGPRSS1PRSS2PRSS3TPSAB1

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-7834144-B2	Prion-specific peptoid reagents	NOVARTIS AG (CH)	2010-11-16	—	—	US	disclosed